SCHEMBL8765982

SCHEMBL8765982

[c]1ccc2c(c1)CCC2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
CDK8 P49336 1/20 0.45
CDK9 P50750 1/20 0.45
ROCK1 Q13464 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
CYP11B2 P19099 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.36

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
SCHEMBL17079721 0.90 IGF1R (0.53) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL27490808 0.79 SIGMAR1 (0.45) SIGMAR1TAAR1CYP11B2MEN1CYP3A4
SCHEMBL9453770 0.79 SIGMAR1 (0.47) SIGMAR1TAAR1CYP11B2MEN1CYP3A4
SCHEMBL8015745 0.78 CYP19A1 (0.52) DDB1CRBNCYP3A4GRIN2B
SCHEMBL29390302 0.77 SIGMAR1 (0.62) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL503849 0.77 SIGMAR1 (0.62) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL9628237 0.76 GID4 (0.33) IGF1RALOX15DDB1CRBN
SCHEMBL30606845 0.76 SIGMAR1 (0.60) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL28025940 0.76 SIGMAR1 (0.60) PDGFRAPRKACAKDRCDK8CDK9
Ammonia Solution, Strong SCHEMBL8210515 0.76 SIGMAR1 (0.60) PDGFRAPRKACAKDRCDK8CDK9

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
EP-0147909-B1 ARYLOXY-N-(AMINOALKYL)-1-PYRROLIDINE AND PIPERIDINE CARBOXAMIDES AND CARBOTHIOAMIDES HAVING ANTIARRHYTHMIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1989-12-06 EP claimed
EP-0777680-A1 UROKINASE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-06-11 EP disclosed
WO-1996040747-A1 UROKINASE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-12-19 WO disclosed