SCHEMBL8993513

SCHEMBL8993513

Nc1ccc([C@@H]2NNC(=O)[C@H]2c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 1/20 0.39
PBRM1 Q86U86 1/20 0.38
KDM1A O60341 2/20 0.38
RCOR1 Q9UKL0 1/20 0.38
MAOB P27338 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
HTR1A P08908 1/20 0.36
XDH P47989 1/20 0.35
GUSB P08236 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6555228 0.69 SMN1; SMN2 (0.53) MAPK1HTR2BGAA
SCHEMBL8846878 0.69 SMN1; SMN2 (0.53) MAPK1HTR2BGAA
SCHEMBL8846872 0.69 SMN1; SMN2 (0.53) MAPK1HTR2BGAA
SCHEMBL8993511 0.69 SLC6A2 (0.45) GAA
SCHEMBL8993589 0.69 SLC6A3 (0.51) TSHRHTTGAA
Hydrochloric Acid SCHEMBL8993466 0.68 SMN1; SMN2 (0.52) MAPK1HTR2BGAA
SCHEMBL8993503 0.66 ALDH1A1 (0.47) HTR2CGAA
SCHEMBL8788750 0.66 PBRM1 (0.43) HTR2CTSHRMAPK1PBRM1KDM1A
SCHEMBL14665736 0.66 HTR2C (0.47) HTR2CTSHRMAPK1PBRM1KDM1A
SCHEMBL21381496 0.64 GUSB (0.45) HTR2CPBRM1KDM1AGUSBHTT

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
US-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed