SCHEMBL10914304

SCHEMBL10914304

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2CN2CCC(c3ccccc3Br)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.44
▸ BCHE P06276 5/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD4 P21917 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL10914047 0.87 HSD11B1 (0.50) ACHEBCHESMN1; SMN2OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL10916739 0.86 HSD11B1 (0.49) ACHEBCHESMN1; SMN2OPRM1SIGMAR1
SCHEMBL10918399 0.81 CCR2 (0.45) ACHEBCHESMN1; SMN2DRD4KMT2A
SCHEMBL10971590 0.81 POLB (0.45) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL10917978 0.81 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL10916248 0.80 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL10918979 0.79 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10922643 0.78 POLB (0.42) MEN1KMT2AALDH1A1
SCHEMBL10920934 0.78 TSHR (0.51) SMN1; SMN2KMT2ATSHRKDM4EALDH1A1
SCHEMBL10919669 0.76 NPC1 (0.50) MEN1KMT2AKDM4EALDH1A1

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
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 — — EP disclosed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
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