SCHEMBL10361979

SCHEMBL10361979

CNc1ccccc1CC(CC(=O)Nc1ccccc1NC)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 3/20 0.43
▸ CACNA1B Q00975 3/20 0.43
▸ CACNB1 Q02641 3/20 0.43
▸ CACNA1C Q13936 3/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL10362000 0.80 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
Hydrochloric Acid SCHEMBL10767305 0.78 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL10363475 0.74 LMNA (0.44) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL10363646 0.70 HTT (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL23086156 0.65 MEN1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL29321595 0.65 KMT2A (0.71) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL10810891 0.65 ABCB1 (0.52) KMT2AMEN1NPSR1SMN1; SMN2HTT
SCHEMBL10812499 0.64 KMT2A (0.41) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL9183552 0.64 LMNA (0.66) KMT2ALMNAMEN1NPSR1HTT
SCHEMBL10362010 0.64 LMNA (0.66) KMT2ALMNAMEN1SMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207901-B1 ANTIANAPHYLACTIC AND ANTIBRONCHOSPASTIC N-BENZHYDRYLDIAZACYCLOALKYLALKANANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1990-11-28 — — EP claimed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 — — US claimed
EP-0207901-B1 ANTIANAPHYLACTIC AND ANTIBRONCHOSPASTIC N-BENZHYDRYLDIAZACYCLOALKYLALKANANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1990-11-28 — — EP disclosed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 — — US disclosed
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