SCHEMBL6977996

SCHEMBL6977996

O=c1c(Cc2cccnc2)cn2c3cc(Cl)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.39
PLA2G7 Q13093 5/20 0.39
MAT2A P31153 4/20 0.39
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
TBXAS1 P24557 1/20 0.34
PTAFR P25105 1/20 0.34
AOC2 O75106 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 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
Hydrochloric Acid SCHEMBL6973682 0.99 MCL1 (0.39) MCL1PLA2G7MAT2AGABRA5GABRA1
SCHEMBL6979995 0.95 MCL1 (0.44) MCL1PLA2G7MAT2ATBXAS1PTAFR
SCHEMBL1961296 0.90 GABRA1 (0.36) PLA2G7GABRA5GABRA1TBXAS1PTAFR
SCHEMBL6971083 0.90 PTGDR2 (0.36) PLA2G7TBXAS1GRM2
SCHEMBL6970863 0.89 CYP1A2 (0.39) PLA2G7GABRA5GABRA1
SCHEMBL6983342 0.89 MAT2A (0.44) MCL1PLA2G7MAT2AGABRA5GABRA1
Hydrochloric Acid SCHEMBL6977314 0.89 GABRA1 (0.36) PLA2G7GABRA5GABRA1TBXAS1PTAFR
SCHEMBL6979997 0.88 MCL1 (0.42) MCL1PLA2G7MAT2AGABRA5GABRA1
SCHEMBL6973785 0.87 CYP11B1 (0.35) TBXAS1KMT2A
Sulfuric Acid SCHEMBL6983443 0.87 GABRA1 (0.35) MCL1PLA2G7GABRA5GABRA1TBXAS1

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