SCHEMBL11227624

SCHEMBL11227624

COc1cccc2c1C(CBr)OCCC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.41
DRD2 P14416 7/20 0.40

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
SCHEMBL11225594 0.92 HTR1A (0.42) HTR1ADRD2
SCHEMBL11216839 0.84 HTR1A (0.42) HTR1ADRD2
SCHEMBL11225366 0.80 HTR1A (0.41) HTR1ADRD2
SCHEMBL11220182 0.77 ATM (0.40)
SCHEMBL11226693 0.76 HTR2C (0.33)
SCHEMBL11224053 0.75 HTR1A (0.43) HTR1ADRD2
SCHEMBL11019317 0.74 MAOA (0.41) DRD2
SCHEMBL11216838 0.74 HTR1A (0.40) HTR1A
SCHEMBL11229469 0.74 HTR2A (0.37) HTR1ADRD2
SCHEMBL11224380 0.73 DRD3 (0.34) DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 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-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 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