SCHEMBL31448445

SCHEMBL31448445

Nc1c(Br)ccc(Cl)c1Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
ADCY10 Q96PN6 2/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
MAOB P27338 3/20 0.37
MPO P05164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.35
MAPT P10636 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
SCHEMBL31448418 0.80 TAAR1 (0.42) TAAR1ADCY10IDO1AGXTMAOB
SCHEMBL31448459 0.79 HTR2A (0.34) IDO1AGXTMPOGRM2
SCHEMBL31448506 0.73 L3MBTL1 (0.40) TAAR1ADCY10IDO1MPOL3MBTL1
SCHEMBL7205931 0.72 TAAR1 (0.52) TAAR1ADCY10IDO1AGXTMAOB
SCHEMBL31448377 0.71 MPO (0.36) MPO
SCHEMBL3300303 0.69 TAAR1 (0.60) TAAR1IDO1AGXTMAOBDAO
SCHEMBL31448532 0.69 GRM2 (0.38) MPOGRM2MAPT
SCHEMBL31448529 0.69 P2RX7 (0.34)
SCHEMBL858273 0.68 ENPP1 (0.44) TAAR1ADCY10L3MBTL1DAO
SCHEMBL18513743 0.67 BRD4 (0.43) MAOBDAO

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