SCHEMBL31448459

SCHEMBL31448459

Nc1c(Br)ccc(Cl)c1Cc1cc(F)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.34
SLC6A4 P31645 5/20 0.34
KCNH2 Q12809 5/20 0.34
P2RX7 Q99572 5/20 0.33
DPP4 P27487 1/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
GRM2 Q14416 1/20 0.31
ALOX15 P16050 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDC7 O00311 1/20 0.31
EEF2K O00418 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31

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
SCHEMBL31448377 0.91 MPO (0.36) HTR2ASLC6A4KCNH2P2RX7DPP4
SCHEMBL31448529 0.88 P2RX7 (0.34) HTR2ASLC6A4KCNH2P2RX7
SCHEMBL31448532 0.80 GRM2 (0.38) HTR2ASLC6A4KCNH2P2RX7GRM2
SCHEMBL31448445 0.79 TAAR1 (0.40) IDO1AGXTGRM2MPO
SCHEMBL30772359 0.79 HTR2A (0.38) HTR2ASLC6A4KCNH2P2RX7
SCHEMBL31448506 0.78 L3MBTL1 (0.40) IDO1MPO
SCHEMBL30772375 0.74 HTR2A (0.38) HTR2ASLC6A4KCNH2P2RX7DPP4
SCHEMBL31448540 0.73 HTR2A (0.36) HTR2ASLC6A4KCNH2P2RX7
SCHEMBL31448574 0.72 HTT (0.41) HTR2AIDO1MPO
SCHEMBL189219 0.68 HTR2A (0.39) HTR2ASLC6A4KCNH2P2RX7

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
CN-119343332-A 3, 4-Dihydro-quinolin-2 (1H) -one compounds 橘生药品工业株式会社 2025-01-21 CN disclosed