SCHEMBL14456960

SCHEMBL14456960

O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.62
▸ CNR1 P21554 1/20 0.57
▸ ROCK2 O75116 2/20 0.55
▸ P2RX7 Q99572 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ PRKCG P05129 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PRKCB P05771 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ PRKCA P17252 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PRKACB P22694 1/20 0.53
▸ PRKCH P24723 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PRKCI P41743 1/20 0.53
▸ PRKCE Q02156 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53

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
SCHEMBL14456959 0.86 ALDH1A1 (0.65) KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL14456957 0.84 TGM2 (0.50) CNR1CYP3A4
SCHEMBL14469195 0.82 CHRM1 (0.53) CHRM1CNR1ROCK2ROCK1
SCHEMBL10983794 0.82 P2RX7 (0.64) ROCK2P2RX7KDM4EPRKD3PRKCG
SCHEMBL14456952 0.81 POLB (0.78) CYP3A4
SCHEMBL14456950 0.80 CYP2C19 (0.60) CHRM1CYP3A4CYP2C19
SCHEMBL6792039 0.79 LSS (0.70) CHRM1CNR1
SCHEMBL14456956 0.78 CNR1 (0.69) CNR1
SCHEMBL14456892 0.78 MEN1 (0.63) CYP3A4
SCHEMBL15101977 0.77 CHRM1 (1.00) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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