SCHEMBL7976574

SCHEMBL7976574

O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c3cc(OCc4cncc(CO)c4)cc1c32

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
ACHE P22303 2/20 0.35
MAOB P27338 2/20 0.35
HSD17B10 Q99714 1/20 0.34
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PKM P14618 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRKDC P78527 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6981580 0.93 GABRA1 (0.35) GABRA1GABRA5ACHEMAOBHSD17B10
SCHEMBL6977199 0.92 GABRA1 (0.39) GABRA1GABRA5ACHEMAOBMAOA
SCHEMBL6978286 0.91 FPR1 (0.34) GABRA1GABRA5ACHEMAOBMAOA
SCHEMBL6981594 0.90 GABRA1 (0.37) GABRA1GABRA5ACHEMAOBMAOA
SCHEMBL7673131 0.89 GABRA1 (0.39) GABRA1GABRA5ACHEMAOBMAOA
SCHEMBL1961296 0.87 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2PKM
Hydrochloric Acid SCHEMBL6977314 0.87 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2PKM
SCHEMBL6974311 0.86 GABRA1 (0.37) GABRA1GABRA5FPR1FPR2LRRK2
SCHEMBL6979179 0.85 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2LRRK2
SCHEMBL7666416 0.85 GABRA1 (0.35) GABRA1GABRA5ACHEMAOBHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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