SCHEMBL6983568

SCHEMBL6983568

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
PLA2G4A P47712 1/20 0.37
TBXAS1 P24557 4/20 0.36
PTAFR P25105 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6974311 0.93 GABRA1 (0.37) GABRA1GABRA5PLA2G4ATBXAS1PTAFR
SCHEMBL6981489 0.92 FPR1 (0.36) GABRA1GABRA5TBXAS1PTAFRTHRA
SCHEMBL6980825 0.91 GABRA1 (0.35) GABRA1GABRA5TBXAS1PTAFRFPR1
SCHEMBL6975197 0.91 ALDH1A1 (0.36) GABRA1GABRA5TBXAS1PTAFRFPR1
SCHEMBL6978077 0.91 CYP1A2 (0.41) GABRA1GABRA5TBXAS1PTAFRFPR1
SCHEMBL6982487 0.90 LRRK2 (0.38) GABRA1GABRA5TBXAS1PTAFRHTT
SCHEMBL6979179 0.90 GABRA1 (0.39) GABRA1GABRA5TBXAS1PTAFRFPR1
SCHEMBL6983182 0.90 TSHR (0.41) GABRA1GABRA5FPR1FPR2HTT
SCHEMBL6982874 0.89 MCL1 (0.36) GABRA1GABRA5TBXAS1PTAFRFPR1
SCHEMBL6980559 0.89 FPR1 (0.35) GABRA1GABRA5TBXAS1PTAFRFPR1

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