SCHEMBL8946974

SCHEMBL8946974

COc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
OPRM1 P35372 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD1 P21728 6/20 0.42
DRD5 P21918 5/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
DRD4 P21917 3/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8946972 1.00 HTR2A (0.45) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL8946988 1.00 HTR2A (0.45) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL8946437 0.82 SLC6A2 (0.40) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL8946433 0.82 SLC6A2 (0.40) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL8946442 0.82 SLC6A2 (0.40) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL10380873 0.81 HPGD (0.55) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL24793785 0.81 HTR2A (0.43) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL8946743 0.81 ADRA2A (0.41) HTR2AOPRM1SLC6A2SLC6A4
SCHEMBL8946747 0.81 ADRA2A (0.41) HTR2AOPRM1SLC6A2SLC6A4
SCHEMBL8946720 0.81 ADRA2A (0.41) HTR2AOPRM1SLC6A2SLC6A4

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
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US claimed
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-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