SCHEMBL7635163

SCHEMBL7635163

N#Cc1c(F)ccc2c1OCc1c(C(=O)O)ncn1-2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.34
HTR1D P28221 14/20 0.34
HTR1B P28222 14/20 0.34
SLC6A4 P31645 14/20 0.34
KCNH2 Q12809 14/20 0.34
CYP3A4 P08684 3/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
ADRA1A P35348 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA2 P47869 1/20 0.32
P2RX7 Q99572 1/20 0.31
NOTUM Q6P988 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
SCHEMBL7635187 0.84 GABRA1 (0.45) GABRG2GABRB3GABRA3CYP2C9CYP2C19
SCHEMBL24632613 0.73 HTR1A (0.32) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL7636525 0.72 GABRG2 (0.41) GABRG2GABRB3GABRA3CYP2C19GABRA1
SCHEMBL427787 0.67 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL9669325 0.61 GABRG2 (0.36) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7392361 0.61 GABRA1 (0.54) GABRG2GABRB3GABRA3CYP2C19GABRA1
SCHEMBL8030562 0.60 GABRG2 (0.39) GABRG2GABRB3GABRA3CYP2C19GABRA1
SCHEMBL24632609 0.59 GABRG2 (0.49) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL8028116 0.59 GABRG2 (0.32) GABRG2GABRB3GABRA3
SCHEMBL11110301 0.58 GABRA1 (0.48) GABRG2GABRB3GABRA3CYP2C9CYP2C19

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
EP-0625982-B1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS UPJOHN CO (US) 2002-06-12 EP claimed