SCHEMBL8589507

SCHEMBL8589507

NCC(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
EPHX2 P34913 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
AGXT P21549 1/20 0.42
CASR P41180 2/20 0.41
TPH1 P17752 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MME P08473 1/20 0.41
ACP3 P15309 1/20 0.40
APP P05067 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8588435 0.87 SIGMAR1 (0.51) ALDH1A1AGXTSIGMAR1
SCHEMBL8589191 0.85 ALDH1A1 (0.43) MAOBALDH1A1MMESIGMAR1
SCHEMBL8587466 0.83 KCNH2 (0.56) ALDH1A1
SCHEMBL8587928 0.82 DPP7 (0.47) ALDH1A1ADAMTS5MMESIGMAR1
SCHEMBL8588118 0.82 MC4R (0.43) EPHX2ALDH1A1APP
SCHEMBL8588129 0.82 EPHX2 (0.44) EPHX2MME
SCHEMBL8589150 0.80 TAAR1 (0.40) MMESIGMAR1
SCHEMBL170305 0.79 SIGMAR1 (0.55) SIGMAR1
SCHEMBL21835602 0.79 SIGMAR1 (0.55) SIGMAR1
SCHEMBL10797644 0.79 SIGMAR1 (0.55) SIGMAR1

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
WO-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed