SCHEMBL7345340

SCHEMBL7345340

CN1CCN(C(C(N)=O)c2ccc(C(=O)NOC(C)(C)C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ABCB1 P08183 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
TEAD1 P28347 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL26698246 0.74 CHRM1 (0.56) CHRM2CHRM1GAACYP2D6SLC1A3
SCHEMBL6205499 0.72 ALDH1A1 (0.47) CHRM2CHRM1GAACYP2D6SLC1A3
SCHEMBL7345333 0.70 ATM (0.61) POLBHPGDGAANPC1RAB9A
SCHEMBL11903577 0.70 FFAR1 (0.48) CHRM2CHRM1CYP2D6SLC1A3SLC1A2
SCHEMBL7346193 0.69 HDAC6 (0.41) POLBHPGDALOX15GAAMAPT
SCHEMBL31485397 0.68 CHRM2 (0.37) CHRM2CHRM1ABCB1CYP2D6SLC1A3
SCHEMBL7348711 0.68 HDAC6 (0.45) HDAC6
SCHEMBL7345323 0.68 OPRM1 (0.35) GAAMAPTOPRK1ALDH1A1LMNA
SCHEMBL6119612 0.67 SRD5A2 (0.48) MAPTTP53ALDH1A1
SCHEMBL7481751 0.67 ALDH1A1 (0.55) POLBHPGDGAANPC1RAB9A

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-0658157-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-06-21 EP disclosed
WO-1994005648-A1 DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-17 WO disclosed
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed