SCHEMBL30228516

SCHEMBL30228516

CC1CNCCC1c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.41
▸ GRK2 P25098 2/20 0.40
▸ REN P00797 2/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL30228519 0.85 DRD2 (0.47) P2RY14SSTR1SSTR4
SCHEMBL20588412 0.82 SSTR1 (0.44) P2RY14GRK2RENTACR1SSTR1
SCHEMBL20588417 0.82 SSTR1 (0.44) P2RY14GRK2RENTACR1SSTR1
SCHEMBL20588415 0.82 SSTR1 (0.44) P2RY14GRK2RENTACR1SSTR1
Hydrochloric Acid SCHEMBL4884562 0.82 MAOA (0.52) GRK2RENCYP3A4TDP1USP2
Hydrochloric Acid SCHEMBL4884589 0.82 MAOA (0.52) GRK2RENCYP3A4TDP1USP2
Hydrochloric Acid SCHEMBL4884571 0.82 MAOA (0.52) GRK2RENCYP3A4TDP1USP2
SCHEMBL30228685 0.81 SSTR4 (0.43) P2RY14HTR2ASSTR1SSTR4
Hydrochloric Acid SCHEMBL4914643 0.81 TACR1 (0.44) P2RY14GRK2RENCYP3A4TP53
Hydrochloric Acid SCHEMBL4914648 0.81 TACR1 (0.44) P2RY14GRK2RENCYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126840-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
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