SCHEMBL6980050

SCHEMBL6980050

COc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(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
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7674354 0.96 GABRA1 (0.39) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6977175 0.93 GABRA1 (0.39) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6977199 0.90 GABRA1 (0.39) GABRA1GABRA5ALDH1A1FPR1FPR2
SCHEMBL6971415 0.89 CYP11B1 (0.34) CYP19A1CYP11B1CYP11B2KMT2AMTNR1A
SCHEMBL6979014 0.88 GABRA1 (0.41) GABRA1GABRA5GAAALDH1A1CNR1
SCHEMBL6976663 0.88 TSHR (0.40) ALDH1A1CNR2KMT2A
SCHEMBL6977489 0.87 GABRA1 (0.41) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6974311 0.87 GABRA1 (0.37) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6981594 0.87 GABRA1 (0.37) GABRA1GABRA5ALDH1A1FPR1FPR2
SCHEMBL6978641 0.87 CYP11B1 (0.33) GABRA1GABRA5FPR1FPR2CYP11B1

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