SCHEMBL8946653

SCHEMBL8946653

COc1cc(C)c2c(c1)[C@@H]1Cc3cccc(C)c3[C@]1(C)N2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
ACHE P22303 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8946661 1.00 MAOA (0.32) MAOAMAPTALDH1A1MEN1HPGD
SCHEMBL8946657 1.00 MAOA (0.32) MAOAMAPTALDH1A1MEN1HPGD
SCHEMBL8946537 0.85 HTR2A (0.36) ALDH1A1MEN1KMT2AHTR2CHTR2A
SCHEMBL8946539 0.85 HTR2A (0.36) ALDH1A1MEN1KMT2AHTR2CHTR2A
SCHEMBL8946545 0.85 HTR2A (0.36) ALDH1A1MEN1KMT2AHTR2CHTR2A
SCHEMBL9844752 0.73 HTR2A (0.34) MAOAALDH1A1HTR2CHTR2AHTR2B
SCHEMBL9844749 0.73 HTR2A (0.34) MAOAALDH1A1HTR2CHTR2AHTR2B
SCHEMBL9844750 0.73 HTR2A (0.34) MAOAALDH1A1HTR2CHTR2AHTR2B
SCHEMBL8946329 0.71 CYP3A4 (0.35) ALDH1A1MEN1KMT2AHTR2CHTR2A
SCHEMBL8946333 0.71 CYP3A4 (0.35) ALDH1A1MEN1KMT2AHTR2CHTR2A

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
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