SCHEMBL8153648

SCHEMBL8153648

O=c1c(Cc2cccnc2)cn2c3ccccc3c3cc(O)cc1c32

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.40
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CHRM1 P11229 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GUSB P08236 1/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
CNR2 P34972 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL6984153 0.89 ADORA2A (0.38) VKORC1KCNH2KDM4ELMNAHTT
SCHEMBL6976958 0.89 GUSB (0.37) VKORC1KCNH2KDM4ELMNAHTT
SCHEMBL6977489 0.88 GABRA1 (0.41) VKORC1KCNH2HTTCYP1A2CYP3A4
SCHEMBL8159124 0.88 GABRA5 (0.41) SRCALDH1A1GABRA1GABRA5
SCHEMBL6974694 0.88 PTGDR2 (0.45) SRC
SCHEMBL6979201 0.88 GABRA1 (0.41) VKORC1KDM4EHTTCYP1A2CYP3A4
SCHEMBL6979014 0.86 GABRA1 (0.41) KDM4EHTTCYP1A2CYP3A4CYP2C9
SCHEMBL8151315 0.86 KDM4E (0.41) KDM4ELMNAHTTTSHRCYP1A2
SCHEMBL6982751 0.85 GABRA5 (0.38) VKORC1CYP3A4SRCALDH1A1GABRA1
SCHEMBL7666493 0.85 GABRA1 (0.40) VKORC1KCNH2KDM4ELMNAHTT

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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed