SCHEMBL6977175

SCHEMBL6977175

COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 2/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL6980050 0.93 GABRA1 (0.39) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL6981678 0.92 GABRA1 (0.46) GABRA1GABRA5CYP2C9ALDH1A1MAPT
SCHEMBL6983481 0.91 GABRA1 (0.38) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL7674354 0.91 GABRA1 (0.39) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL6968626 0.90 FPR1 (0.39) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL6979179 0.90 GABRA1 (0.39) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL6978741 0.89 GABRA1 (0.41) GABRA1GABRA5KMT2AMEN1CYP1A2
SCHEMBL6981471 0.89 GABRA5 (0.43) GABRA1GABRA5KMT2APKMALDH1A1
SCHEMBL6982921 0.89 PTGDR2 (0.43) GABRA1GABRA5KMT2AMEN1ALDH1A1
SCHEMBL6979943 0.89 GABRA1 (0.39) GABRA1GABRA5ALDH1A1MAPTCNR1

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 5 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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP 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