SCHEMBL14456716

SCHEMBL14456716

CC(=O)Nc1ccc(CN2CCC(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.59
▸ FAAH O00519 2/20 0.59
▸ TSHR P16473 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ ALDH1A2 O94788 1/20 0.53
▸ ALDH2 P05091 1/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ ALDH1A3 P47895 1/20 0.53
▸ CACNA1G O43497 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51

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 0.86 ADRB2 (0.77) ADRB2FAAHTSHRMEN1KMT2A
SCHEMBL8228226 0.85 ADRB2 (0.69) ADRB2FAAHTSHRMEN1KMT2A
SCHEMBL14456710 0.84 ADRB2 (0.67) ADRB2FAAHTSHRMEN1KMT2A
SCHEMBL8223191 0.84 FAAH (0.82) ADRB2FAAHTSHRSMN1; SMN2MAPT
SCHEMBL14456715 0.83 MEN1 (0.69) ADRB2TSHRMEN1KMT2AMAPK1
SCHEMBL14456742 0.83 MEN1 (0.60) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14456886 0.82 CYP3A4 (0.69) ADRB2TSHRMEN1KMT2AMAPK1
SCHEMBL14456711 0.80 ADRB2 (0.65) ADRB2FAAHTSHRMEN1KMT2A
SCHEMBL8223186 0.80 ADRB2 (0.62) ADRB2TSHRMEN1KMT2AMAPK1
SCHEMBL14456712 0.80 ALDH1A1 (0.79) ADRB2TSHRMEN1KMT2AMAPK1

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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