SCHEMBL10832485

SCHEMBL10832485

CCCOc1ccc(C(=O)N2CCNC2=Nc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL10831648 0.96 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL11217450 0.92 NPC1 (0.47) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10832397 0.92 NPC1 (0.47) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10832149 0.89 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10832451 0.86 GPR6 (0.45) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10833186 0.86 MAPT (0.45) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10832341 0.84 DRD2 (0.38) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL10831620 0.83 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTSHRPOLB
SCHEMBL10832640 0.82 GPR6 (0.43) ALDH1A1MAPTHPGDPOLBGAA
Benclonidine SCHEMBL10831623 0.81 NOS1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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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