SCHEMBL14456989

SCHEMBL14456989

Nc1cc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4cnc(Cl)c(Br)c4)CC3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HTT P42858 1/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 2/20 0.45

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 0.87 CNR1 (0.60) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456964 0.87 CNR1 (0.60) POLBALDH1A1CYP3A4LMNAGAA
SCHEMBL14456976 0.86 POLB (0.52) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456977 0.84 POLB (0.56) POLBALDH1A1HTTCYP3A4LMNA
SCHEMBL14457004 0.83 ALDH1A1 (0.54) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456974 0.83 CYP3A4 (0.53) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456986 0.82 POLB (0.55) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456982 0.81 CYP3A4 (0.56) POLBALDH1A1CYP3A4LMNATSHR
SCHEMBL14456985 0.80 CYP3A4 (0.56) POLBALDH1A1HTTCYP3A4LMNA
SCHEMBL14457005 0.80 CYP3A4 (0.51) POLBALDH1A1CYP3A4LMNATSHR

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