SCHEMBL7668290

SCHEMBL7668290

O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c(=O)c3cc(O)cc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TBXAS1 P24557 1/20 0.35
PTAFR P25105 1/20 0.35
SRC P12931 1/20 0.34
IDO1 P14902 1/20 0.34
VKORC1 Q9BQB6 1/20 0.33
RIPK1 Q13546 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6977489 0.96 GABRA1 (0.41) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL6979201 0.90 GABRA1 (0.41) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL7673131 0.89 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL7674354 0.87 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL7668963 0.85 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL6977199 0.85 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL6973743 0.85 PTGDR2 (0.31) GABRA1GABRA5
SCHEMBL6980050 0.83 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL8153648 0.83 VKORC1 (0.40) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL6979202 0.83 HSD17B3 (0.37) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed