SCHEMBL7995773

SCHEMBL7995773

NCC1c2ccccc2-c2cccnc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.62
RET P07949 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DPP4 P27487 1/20 0.36
TNKS2 Q9H2K2 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
TDO2 P48775 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29434678 0.82 HTR2A (0.42) HTR2ACA1CA2TNKS2KMT2A
SCHEMBL1402081 0.78 HTR2A (1.00) HTR2ARETHTR2CHRH1CA1
SCHEMBL29902960 0.78 HTR2A (1.00) HTR2ARETHTR2CHRH1CA1
SCHEMBL22770492 0.77 HTR2A (0.39) HTR2ATNKS2KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL3895426 0.76 HTR2A (0.95) HTR2ARETHTR2CHRH1CA1
SCHEMBL6992701 0.75 HTR2A (0.66) HTR2ARETHTR2CHRH1
SCHEMBL6997509 0.75 HTR2A (0.66) HTR2ARETHTR2CHRH1
SCHEMBL19139194 0.72 GPR3 (0.38) HTR2ATNKS2KMT2A
SCHEMBL3802354 0.72 ALDH1A1 (0.39) TNKS2KMT2AALDH1A1MAPTRAB9A
Formic Acid SCHEMBL28617966 0.68 HTR2A (0.76) HTR2ARETHTR2CHRH1CA1

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-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 US disclosed