SCHEMBL6973785

SCHEMBL6973785

O=c1c(Cc2cccnc2)cn2c3cc(C(F)(F)F)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 4/20 0.34
GRIN1 Q05586 3/20 0.34
SORT1 Q99523 1/20 0.33
VNN1 O95497 2/20 0.33
SCN9A Q15858 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.32

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 SCHEMBL6979332 0.99 CYP11B1 (0.35) CYP11B1CYP11B2MAPTKMT2AGRIN2B
SCHEMBL6976288 0.95 MMP1 (0.35) CYP11B1CYP11B2MAPTKMT2AGRIN2B
SCHEMBL6971083 0.89 PTGDR2 (0.36) CYP11B1CYP11B2GRIN2BGRIN1TBXA2R
SCHEMBL6976290 0.88 GRIN1 (0.33) CYP11B1CYP11B2MAPTKMT2AGRIN2B
SCHEMBL6977996 0.87 MCL1 (0.39) KMT2ATBXAS1
SCHEMBL1961296 0.87 GABRA1 (0.36) KMT2ATBXAS1
SCHEMBL6970863 0.87 CYP1A2 (0.39) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6977314 0.87 GABRA1 (0.36) KMT2ATBXAS1
Hydrochloric Acid SCHEMBL6973682 0.87 MCL1 (0.39) KMT2ATBXAS1
SCHEMBL6975039 0.85 TBXAS1 (0.36) GRIN2BGRIN1TBXA2RTBXAS1

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