SCHEMBL14456970

SCHEMBL14456970

CC(c1ccnc(N)c1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.48
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14456968 0.88 CNR1 (0.58) CNR1HTTNPSR1GAAALDH1A1
SCHEMBL14456971 0.87 HTT (0.51) CNR1HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL14456969 0.83 TBK1 (0.41) ALDH1A1
SCHEMBL14456974 0.80 CYP3A4 (0.53) TSHRMAPK1CYP3A4ALDH1A1
SCHEMBL14078571 0.78 ACKR3 (0.47) —
SCHEMBL14077794 0.78 ACKR3 (0.47) —
SCHEMBL13391005 0.78 ACKR3 (0.47) —
SCHEMBL13409599 0.76 ACKR3 (0.40) KMT2AALDH1A1
SCHEMBL12533195 0.76 HRH3 (0.49) CYP3A4
SCHEMBL14077861 0.76 ACKR3 (0.45) —

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
Send feedback