SCHEMBL6976958

SCHEMBL6976958

O=c1c(Cc2cccnc2)cn2c3ccccc3c3cc(Br)cc1c32

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.37
GABRA1 P14867 4/20 0.37
GABRA5 P31644 4/20 0.37
CYP1B1 Q16678 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CHRM1 P11229 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) GUSBGABRA1GABRA5CYP1A2CYP3A4
SCHEMBL8153648 0.89 VKORC1 (0.40) GUSBGABRA1GABRA5CYP1A2CYP3A4
SCHEMBL6979014 0.86 GABRA1 (0.41) GUSBGABRA1GABRA5CYP1A2CYP3A4
SCHEMBL6968571 0.86 GABRA1 (0.43) GABRA1GABRA5CYP1B1CYP1A2CYP3A4
SCHEMBL6978741 0.85 GABRA1 (0.41) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL6979201 0.85 GABRA1 (0.41) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL7666493 0.85 GABRA1 (0.40) GUSBGABRA1GABRA5CYP1B1KCNH2
SCHEMBL8151315 0.84 KDM4E (0.41) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL6977489 0.83 GABRA1 (0.41) GABRA1GABRA5CYP1B1CYP1A2CYP3A4
SCHEMBL6977175 0.83 GABRA1 (0.39) GABRA1GABRA5CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed