SCHEMBL8946284

SCHEMBL8946284

COc1cc(C)c2c(c1)[C@H]1Cc3ccccc3[C@H]1N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
MAOA P21397 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GID4 Q8IVV7 1/20 0.35
DRD1 P21728 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
SCHEMBL8946281 1.00 HTR2A (0.39) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946289 1.00 HTR2A (0.39) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946452 0.85 HTR2A (0.34) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946468 0.85 HTR2A (0.34) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946457 0.85 HTR2A (0.34) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL9844733 0.85 HTR2A (0.40) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL9844737 0.85 HTR2A (0.40) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL9844738 0.85 HTR2A (0.40) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946314 0.84 KDM4E (0.43) HTR2AMAOAMAPTALDH1A1HPGD
SCHEMBL8946310 0.84 KDM4E (0.43) HTR2AMAOAMAPTALDH1A1HPGD

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 5 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
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed