SCHEMBL6875657

SCHEMBL6875657

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3cc4ccccc4s3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
HTR1A P08908 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCHR1 Q99705 10/20 0.45
CHRNA7 P36544 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ADRA2A P08913 8/20 0.44

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
SCHEMBL6875664 1.00 RAB9A (0.49) RAB9ANPC1KMT2AHTR1ADRD2
SCHEMBL6457802 0.86 MCHR1 (0.47) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6463577 0.86 MCHR1 (0.47) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6460413 0.85 MCHR1 (0.48) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6467599 0.85 MCHR1 (0.48) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6458843 0.85 HPGD (0.48) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6458853 0.85 HPGD (0.48) RAB9ANPC1KMT2AHTR1AKDM4E
SCHEMBL6877277 0.85 MCHR1 (0.48) RAB9ANPC1KMT2AHTR1AHPGD
SCHEMBL6877271 0.85 MCHR1 (0.48) RAB9ANPC1KMT2AHTR1AHPGD
SCHEMBL6879865 0.84 MCHR1 (0.57) RAB9AHTR1AKDM4ESMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed