SCHEMBL11330678

SCHEMBL11330678

CN(C)CCN(C)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MITF O75030 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ SLC18A3 Q16572 2/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ HTR5A P47898 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL11346469 0.95 MEN1 (0.40) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11465733 0.92 ALDH1A1 (0.41) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11332124 0.91 SLC18A3 (0.47) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11332173 0.89 ALDH1A1 (0.46) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11336631 0.89 ALDH1A1 (0.46) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11341207 0.89 ALDH1A1 (0.46) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11330981 0.88 SLC18A3 (0.45) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11573548 0.88 ALDH1A1 (0.45) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11346058 0.87 MEN1 (0.41) ALDH1A1MEN1MITFKMT2ASMN1; SMN2
SCHEMBL11454494 0.87 KDM4E (0.39) ALDH1A1MEN1MITFKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52014727-A — — None — — JP disclosed
JP-52051323-A — — None — — JP disclosed
JP-53040782-A — — None — — JP disclosed
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4199589-A N-(2-Aminocycloheptyl)acylanilides and methods to treat depression SZMUSZKOVICZ JACOB (US) 1980-04-22 — — US disclosed
US-4172898-A N-(2-aminocycloheptyl)acylanilides THE UPJOHN COMPANY (US) 1979-10-30 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4159339-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
JP-S5340782-A NOVEL PYRIMIDINE *5* YL *THIONO* *THIOL**PHOSPHORIC ACID *PHOSPHONIC ACID* ESTERS * ESTERAMIDES AND USE OF SAME AS PESTICIDE AND MITECIDE BAYER AG 1978-04-13 — — JP disclosed
JP-S5251323-A 11CARBALKOXYVINYL*THIONO**THIOL*PHOSPHORIC ACID*PHOSPHONIC ACID*ESTERS AND ESTERRAMIDE* MANUFACTURING PROCESS THEREFOR AND INSECTICIDES AND MITICIDES CONTAINING SAID COMPOUNDS AS ACTIVE INGREDIENTS BAYER AG 1977-04-25 — — JP disclosed
JP-S5214727-A NEW VINYL *THIONO* *THIOL* PHOSPHORIC ACID *PHOSPHONIC ACID* ESTERS AND INSECTICIDES* MITICIDES AND NEMATICIDES BAYER AG 1977-02-03 — — JP disclosed
Send feedback