SCHEMBL10832289

SCHEMBL10832289

COc1cc(OC)cc(C(=O)N2CCN/C2=N\c2c(Cl)cccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GFER P55789 1/20 0.38

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
SCHEMBL10832293 1.00 GPR6 (0.43) GPR6TSHRALDH1A1TDP1MAPT
SCHEMBL10832451 0.90 GPR6 (0.45) GPR6TSHRALDH1A1MAPTKMT2A
SCHEMBL10832636 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1
SCHEMBL10832630 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1
SCHEMBL10832468 0.85 PDE4D (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10832466 0.85 PDE4D (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10832702 0.84 GPR6 (0.42) GPR6TSHRALDH1A1MAPTKMT2A
SCHEMBL10832490 0.83 HSD11B1 (0.40) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL10832493 0.83 HSD11B1 (0.40) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
Benclonidine SCHEMBL10831623 0.82 NOS1 (0.42) GPR6ALDH1A1MAPTKMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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