SCHEMBL31448458

SCHEMBL31448458

CNc1c(Br)cccc1Cc1cc(F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 8/20 0.37
SLC6A4 P31645 7/20 0.37
KCNH2 Q12809 6/20 0.37
GRM2 Q14416 1/20 0.36
P2RX7 Q99572 4/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR2C P28335 2/20 0.32
SLC5A2 P31639 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL31448554 0.84 SLC6A4 (0.35) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL31448477 0.82 TAAR1 (0.44) SLC6A2SLC6A3SLC6A4GABRA1GABRB2
SCHEMBL30772359 0.81 HTR2A (0.38) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL31448532 0.79 GRM2 (0.38) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL30772375 0.79 HTR2A (0.38) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL31448540 0.78 HTR2A (0.36) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL30772346 0.75 SLC6A2 (0.45) SLC6A2SLC6A3HTR2ASLC6A4KCNH2
SCHEMBL31448566 0.74 F2R (0.32) GRM2P2RX7MAPT
SCHEMBL31448418 0.70 TAAR1 (0.42) HTR2AGRM2
SCHEMBL25430225 0.68 TAAR1 (0.41) SLC6A2SLC6A4KCNH2GABRA1GABRB2

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