SCHEMBL8946404

SCHEMBL8946404

CC12Cc3ccccc3C1(C)Nc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
ATM Q13315 1/20 0.35
HTR2A P28223 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL8946458 1.00 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1BPDK2
SCHEMBL8946453 1.00 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1BPDK2
SCHEMBL8946527 0.84 CYP1A2 (0.33) ADRA2AADRA2BADRA2CADRA1BGAA
SCHEMBL8946532 0.84 CYP1A2 (0.33) ADRA2AADRA2BADRA2CADRA1BGAA
SCHEMBL8946536 0.84 CYP1A2 (0.33) ADRA2AADRA2BADRA2CADRA1BGAA
SCHEMBL10382345 0.82 CYP3A4 (0.32)
SCHEMBL8946411 0.81 HPGD (0.44) ADRA2AADRA2BADRA2CADRA1BPDK2
SCHEMBL8946416 0.81 HPGD (0.44) ADRA2AADRA2BADRA2CADRA1BPDK2
SCHEMBL8946424 0.81 HPGD (0.44) ADRA2AADRA2BADRA2CADRA1BPDK2
SCHEMBL8946427 0.73 KMT2A (0.33) ADRA2AADRA2BADRA2CADRA1BPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed