SCHEMBL6867518

SCHEMBL6867518

CCOC(=O)C(Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
MCHR1 Q99705 5/20 0.42
P2RY12 Q9H244 1/20 0.42
TACR3 P29371 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.40
ADRA2A P08913 4/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
PARP1 P09874 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL6867524 1.00 ELANE (0.44) ELANEMCHR1P2RY12TACR3L3MBTL1
SCHEMBL6456529 0.93 TACR3 (0.47) MCHR1TACR3L3MBTL1ADRA2AATM
SCHEMBL6456527 0.93 TACR3 (0.47) MCHR1TACR3L3MBTL1ADRA2AATM
SCHEMBL27651737 0.91 MCHR1 (0.45) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6876320 0.90 MCHR1 (0.41) MCHR1ADRA2A
SCHEMBL4210512 0.84 MCHR1 (0.55) ELANEMCHR1ADRA2A
SCHEMBL4035978 0.84 MCHR1 (0.55) ELANEMCHR1ADRA2A
SCHEMBL27632422 0.82 ALDH1A1 (0.43) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6879678 0.81 TSHR (0.54) MCHR1ADRA2ALMNATSHR
SCHEMBL6879682 0.81 TSHR (0.54) MCHR1ADRA2ALMNATSHR

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