SCHEMBL9426050

SCHEMBL9426050

CC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL9426845 0.90 CYP2D6 (0.50) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
SCHEMBL9425985 0.89 THRB (0.51) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
SCHEMBL9321227 0.88 POLB (0.49) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
SCHEMBL9426465 0.88 HPGD (0.52) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
Hydrochloric Acid SCHEMBL9426244 0.86 AVPR2 (0.52) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
SCHEMBL9513197 0.85 THRB (0.58) HTR2ATHRBKMT2ASMN1; SMN2POLB
SCHEMBL9320194 0.84 THRB (0.65) HTR2ATHRBKMT2APOLBHPGD
Hydrochloric Acid SCHEMBL9512922 0.84 THRB (0.57) HTR2ATHRBKMT2ASMN1; SMN2POLB
SCHEMBL9320513 0.83 LMNA (0.59) HTR2ATHRBKMT2ASMN1; SMN2NLRP3
Dimethylamine SCHEMBL9320437 0.83 THRB (0.63) HTR2ATHRBKMT2APOLBHPGD

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-5321027-A Analgesic CIBA-GEIGY CORPORATION (US) 1994-06-14 — — US disclosed
EP-0489690-A1 Substituted N-Benzoyl-N'-(2-phenylethyl)-piperazines CIBA-GEIGY AG (CH) 1992-06-10 — — EP disclosed
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