SCHEMBL6876641

SCHEMBL6876641

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)CSc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
RXFP1 Q9HBX9 3/20 0.42
KMT2A Q03164 3/20 0.42
NPY5R Q15761 3/20 0.41
ADRA2A P08913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR1 P32246 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL6876645 1.00 MCHR1 (0.43) MCHR1RXFP1KMT2ANPY5RADRA2A
SCHEMBL6872317 0.89 KMT2A (0.51) MCHR1RXFP1KMT2AKDM4ELMNA
SCHEMBL6872319 0.89 KMT2A (0.51) MCHR1RXFP1KMT2AKDM4ELMNA
SCHEMBL6878604 0.86 MCHR1 (0.48) MCHR1KMT2ANPY5RADRA2ASMN1; SMN2
SCHEMBL6878610 0.86 MCHR1 (0.48) MCHR1KMT2ANPY5RADRA2ASMN1; SMN2
SCHEMBL6879386 0.86 MCHR1 (0.47) MCHR1NPY5RADRA2ASMN1; SMN2KDM4E
SCHEMBL6879382 0.86 MCHR1 (0.47) MCHR1NPY5RADRA2ASMN1; SMN2KDM4E
SCHEMBL6876360 0.85 MCHR1 (0.47) MCHR1KMT2ANPY5RADRA2ASMN1; SMN2
SCHEMBL6876357 0.85 MCHR1 (0.47) MCHR1KMT2ANPY5RADRA2ASMN1; SMN2
SCHEMBL6878289 0.84 KDM4E (0.48) MCHR1NPY5RADRA2AKDM4EALDH1A1

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