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Sugi Predict / Compounds / SCHEMBL14456974

SCHEMBL14456974

SCHEMBL14456974

Nc1cc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL14456988 0.93 CYP3A4 (0.54) CYP3A4POLBTSHR
SCHEMBL14456999 0.91 CYP3A4 (0.52) CYP3A4POLBALDH1A1MAPK1LMNA
SCHEMBL14456987 0.90 CYP3A4 (0.61) CYP3A4POLBLMNA
SCHEMBL14457000 0.89 CYP3A4 (0.50) CYP3A4POLBALDH1A1MAPK1LMNA
SCHEMBL14456997 0.89 CYP3A4 (0.50) CYP3A4POLBALDH1A1MAPK1LMNA
SCHEMBL14456949 0.88 CYP3A4 (0.51) CYP3A4POLBALDH1A1MAPK1TSHR
SCHEMBL14456998 0.87 ALDH1A1 (0.49) CYP3A4POLBALDH1A1MAPK1
SCHEMBL14456964 0.87 CNR1 (0.60) CYP3A4POLBALDH1A1LMNATSHR
SCHEMBL14456975 0.87 CNR1 (0.60) CYP3A4POLBALDH1A1LMNATSHR
SCHEMBL14457005 0.87 CYP3A4 (0.51) CYP3A4POLBALDH1A1LMNATSHR

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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