SCHEMBL6982438

SCHEMBL6982438

COc1cc2c(=O)ccn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
TSPO P30536 2/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL6982970 0.89 GABRP (0.35) PIK3R1PIK3CAGABRPGABRDGABRA1
SCHEMBL8157626 0.85 POLB (0.36) TSPOKMT2AELANEPTGS2ALDH1A1
SCHEMBL8152607 0.85 LMNA (0.36) PIK3R1PIK3CAKMT2AMAPK1MAPT
SCHEMBL6978232 0.82 CHEK1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6983135 0.81 PTGDR2 (0.39) KMT2ATSHRMCL1TDP1KDM4E
SCHEMBL6975262 0.80 PIK3R1 (0.38) PIK3R1PIK3CAGABRPGABRDGABRA1
SCHEMBL7083107 0.79 IDO1 (0.33) MAPK1TSHRMAPTIDO1
SCHEMBL8157787 0.79 MAOB (0.44) KMT2AALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL6979976 0.79 SMN1; SMN2 (0.34) PIK3R1PIK3CATSPOALDH1A1MAPT
SCHEMBL6971985 0.78 SMN1; SMN2 (0.43) KMT2AMAPK1ELANEALDH1A1NPSR1

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