SCHEMBL12529055

SCHEMBL12529055

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ TP53 P04637 3/20 0.66
▸ POLB P06746 1/20 0.66
▸ PANK3 Q9H999 1/20 0.64
▸ CA2 P00918 3/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA1 P00915 1/20 0.59
▸ STS P08842 1/20 0.56
▸ MCHR1 Q99705 6/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL12529071 0.90 MCHR1 (0.57) MAPTSMN1; SMN2TP53POLBPANK3
SCHEMBL12529014 0.89 MCHR1 (0.65) MAPTSMN1; SMN2PANK3CA2CA12
SCHEMBL12529049 0.89 NOTUM (0.56) MAPTSMN1; SMN2TP53POLBPANK3
SCHEMBL12529009 0.89 MAPT (0.62) MAPTSMN1; SMN2TP53POLBPANK3
SCHEMBL12529069 0.87 MCHR1 (0.53) MAPTSMN1; SMN2TP53POLBCA2
SCHEMBL12528808 0.86 MCHR1 (0.56) MAPTSMN1; SMN2POLBMCHR1ALDH1A1
SCHEMBL12529027 0.86 MAPT (0.62) MAPTSMN1; SMN2TP53POLBMCHR1
SCHEMBL12528993 0.86 MCHR1 (0.65) MAPTPOLBCA2CA12CA9
SCHEMBL14415286 0.86 MCHR1 (0.56) MAPTSMN1; SMN2TP53POLBPANK3
SCHEMBL12529006 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MCHR1MEN1ALDH1A1KMT2A

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
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 — — US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 — — US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 — — US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 — — US disclosed
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