SCHEMBL7280960

SCHEMBL7280960

CCOc1cc(C)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.45
JMJD6 Q6NYC1 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 1/20 0.41
PDE10A Q9Y233 2/20 0.40
GUSB P08236 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ACHE P22303 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
HPSE Q9Y251 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
CBFB Q13951 1/20 0.37

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
SCHEMBL7270866 0.90 PDE5A (0.55) PDE5AJMJD6PDE3BPDE3ANPC1
SCHEMBL7279872 0.88 CBFB (0.46) PDE5APDE3BPDE3ANPC1RAB9A
SCHEMBL7277991 0.88 PDE5A (0.59) PDE5AJMJD6PDE3BPDE3ANPC1
SCHEMBL9635782 0.87 PDE5A (0.44) PDE5APDE3BPDE3APDE10AGUSB
SCHEMBL7270925 0.86 PDE5A (0.56) PDE5AJMJD6PDE3BPDE3ANPC1
SCHEMBL7272286 0.86 PDE2A (0.50) PDE5APDE3BPDE3ANPC1RAB9A
SCHEMBL7278432 0.85 PDE5A (0.43) PDE5APDE3BPDE3ANPC1PDE10A
SCHEMBL7272133 0.84 PDE5A (0.42) PDE5APDE3BPDE3ANPC1RAB9A
SCHEMBL9635639 0.84 PDE5A (0.62) PDE5APDE10AGUSBKDM4EALDH1A1
SCHEMBL7278114 0.83 PDE5A (0.42) PDE5AJMJD6PDE3BPDE3ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed