SCHEMBL14456977

SCHEMBL14456977

Nc1cc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)CC2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ F10 P00742 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ADRB2 P07550 1/20 0.48

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
SCHEMBL14456975 0.92 CNR1 (0.60) POLBF10ALDH1A1LMNATSHR
SCHEMBL14456986 0.91 POLB (0.55) POLBALDH1A1LMNATSHRCNR1
SCHEMBL14456964 0.90 CNR1 (0.60) POLBF10ALDH1A1LMNATSHR
SCHEMBL14456976 0.89 POLB (0.52) POLBF10ALDH1A1LMNATSHR
SCHEMBL14456985 0.89 CYP3A4 (0.56) POLBHTTALDH1A1LMNATSHR
SCHEMBL14456996 0.87 POLB (0.51) POLBALDH1A1LMNATSHRCNR1
SCHEMBL14456974 0.86 CYP3A4 (0.53) POLBALDH1A1LMNATSHRCYP3A4
SCHEMBL14457004 0.85 ALDH1A1 (0.54) POLBALDH1A1LMNATSHRCYP3A4
SCHEMBL14456989 0.84 POLB (0.49) POLBHTTALDH1A1LMNATSHR
SCHEMBL14456908 0.84 CYP3A4 (0.54) CYP3A4ADRB2

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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