SCHEMBL31597697

SCHEMBL31597697

C[C@H]1CNCc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.58
HTR2A P28223 11/20 0.58
HTR2B P41595 10/20 0.58
PNMT P11086 3/20 0.45
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
ASIC3 Q9UHC3 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12279234 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL23538187 0.98 HTR2C (0.57) HTR2CHTR2AHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL29950615 0.98 HTR2C (0.57) HTR2CHTR2AHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL29133384 0.84 HTR2A (0.71) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL13616552 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL13630335 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL6491638 0.76 HTR2C (0.72) HTR2CHTR2AHTR2BKCNH2
SCHEMBL14487997 0.75 KDM1A (0.50) HTR2CHTR2AHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL38652888 0.75 HTR2C (0.42) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL6671284 0.74 PNMT (0.56) HTR2CHTR2AHTR2BPNMTADRA2A

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-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed