SCHEMBL14456715

SCHEMBL14456715

COc1ccc(CN2CCC(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.62
▸ POLB P06746 1/20 0.62
▸ ADRB2 P07550 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.58
▸ TSHR P16473 4/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MTNR1B P49286 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ ALDH1A2 O94788 1/20 0.55
▸ ALDH2 P05091 1/20 0.55
▸ ALDH3A1 P30838 1/20 0.55
▸ ALDH1A3 P47895 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ ACKR3 P25106 1/20 0.54

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
SCHEMBL8228179 0.88 ADRB2 (0.77) MEN1KMT2AKDM4EPOLBADRB2
SCHEMBL14456710 0.85 ADRB2 (0.67) MEN1KMT2APOLBADRB2ALDH1A1
SCHEMBL8228226 0.84 ADRB2 (0.69) MEN1KMT2APOLBADRB2ALDH1A1
SCHEMBL14456886 0.84 CYP3A4 (0.69) MEN1KMT2AKDM4EADRB2ALDH1A1
SCHEMBL14456716 0.83 ADRB2 (0.59) MEN1KMT2AKDM4EADRB2ALDH1A1
SCHEMBL14456766 0.82 CYP3A4 (0.67) KDM4EALDH1A1TSHRMAPK1MTNR1B
SCHEMBL14456811 0.82 CYP3A4 (0.71) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL14456711 0.82 ADRB2 (0.65) MEN1KMT2AKDM4EPOLBADRB2
SCHEMBL8223186 0.82 ADRB2 (0.62) MEN1KMT2AADRB2ALDH1A1TSHR
SCHEMBL14456712 0.82 ALDH1A1 (0.79) MEN1KMT2APOLBADRB2ALDH1A1

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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