SCHEMBL9688216

SCHEMBL9688216

COc1cc2c(cc1OC)C(CCCl)OCC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 4/20 0.43
KCNN3 Q9UGI6 4/20 0.43
KCNN1 Q92952 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOA P21397 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11370362 0.92 KCNN2 (0.41) KCNN2KCNN3KCNN1ALDH1A1MAOA
SCHEMBL11220460 0.92 KCNN2 (0.44) KCNN2KCNN3KCNN1ALDH1A1TAAR1
SCHEMBL10990476 0.92 KCNN2 (0.41) KCNN2KCNN3KCNN1ALDH1A1MAOA
SCHEMBL11217845 0.90 KCNN2 (0.43) KCNN2KCNN3KCNN1ALDH1A1TAAR1
SCHEMBL11224064 0.89 HTR2C (0.45) ALDH1A1TAAR1
SCHEMBL7290833 0.88 ALDH1A1 (0.43) KCNN2KCNN3KCNN1ALDH1A1TAAR1
SCHEMBL11222930 0.87 HTR2A (0.47) KCNN2KCNN3KCNN1ALDH1A1TAAR1
SCHEMBL7376032 0.84 NQO2 (0.43) KCNN2KCNN3KCNN1ALDH1A1TAAR1
SCHEMBL11222498 0.83 KCNN2 (0.42) KCNN2KCNN3KCNN1ALDH1A1MAOA
SCHEMBL11668404 0.83 SIGMAR1 (0.42) KCNN2KCNN3KCNN1ALDH1A1TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed
EP-0157206-A2 Substituted isochromanes and oxepines, their acid addition salts, medicines containing them and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1985-10-09 EP disclosed
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4351942-A Isochromans AMERICAN HOME PRODUCTS CORP. (US) 1982-09-28 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4223151-A 4-(6,7-DIMETHOXY-1-METHYL-ISOCHROMAN-1-YL)PYRIDINE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-09-16 US disclosed
US-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4181665-A INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1980-01-01 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed
US-4066648-A ANTIDEPRESSANTS, ANALGESICS, DIURETICS, ANTIINFLAMMATORY AGENTS, MUSCLE RELAXANTS, VASODIALATORS, HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-03 US disclosed
US-4036842-A FRIEDEL CRAFTS CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-4021451-A P-(3,4-DIHYDRO-1-METHYL-1H-(1)BENZOTHIENO(2,3-C)PYRAN-1-YL)PHENYL) -ACETIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-03 US disclosed