SCHEMBL7302448

SCHEMBL7302448

COc1cccc2c1CN1CC(=O)NC1=N2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.56
PDE3A Q14432 18/20 0.56
P2RY12 Q9H244 2/20 0.54
MEN1 O00255 1/20 0.54
PDE2A O00408 1/20 0.54
KMT2A Q03164 1/20 0.54
TIPARP Q7Z3E1 2/20 0.41
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7319198 0.83 PDE3B (0.56) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1570572 0.82 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
Hydrochloric Acid SCHEMBL10605149 0.81 PDE3B (0.58) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL11866311 0.81 PDE3B (0.52) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL7306463 0.79 PDE3B (0.70) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL4927003 0.79 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL1570935 0.79 PDE3B (0.60) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL7305770 0.77 HTR3E (0.40) MEN1KMT2ATIPARPLMNA
SCHEMBL10377082 0.75 PDE3B (0.59) PDE3BPDE3AP2RY12MEN1PDE2A
SCHEMBL10602377 0.75 PDE3B (0.55) PDE3BPDE3AP2RY12MEN1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed