SCHEMBL7324722

SCHEMBL7324722

O=C1CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
CYP19A1 P11511 1/20 0.38
S100A4 P26447 1/20 0.36
SRD5A1 P18405 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2490001 0.84 RAB9A (0.46) TP53SLC6A2SLC6A3
SCHEMBL8919310 0.78 CYP19A1 (0.46) VHLELOCELOBCYP19A1S100A4
SCHEMBL4863747 0.77 CYP3A4 (0.43) CYP19A1
SCHEMBL8402135 0.77 SLC6A2 (0.41) CYP19A1SLC6A2SLC6A3
SCHEMBL31598939 0.77 SLC6A2 (0.41) CYP19A1SLC6A2SLC6A3
SCHEMBL7749761 0.77 GAA (0.43) TP53MDM2SLC6A3
SCHEMBL27560253 0.77 VHL (0.44) VHLELOCELOBS100A4SRD5A1
SCHEMBL5709365 0.76 SRD5A1 (0.45) SRD5A1SLC6A2SLC6A3
SCHEMBL3671445 0.75 KDM4E (0.55) CYP19A1S100A4SLC6A3
SCHEMBL3671443 0.75 KDM4E (0.55) CYP19A1S100A4SLC6A3

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-4556676-A Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-12-03 US disclosed
US-4536518-A Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine PFIZER INC. (US) 1985-08-20 US disclosed
EP-0030081-B1 ANTIDEPRESSANT DERIVATIVES OF CIS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0028901-B1 ANTIDEPRESSANT DERIVATIVES OF TRANS-4-PHENYL-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1983-03-02 EP disclosed
EP-0030081-A1 Antidepressant derivatives of cis-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-06-10 EP disclosed
EP-0028901-A1 Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof PFIZER INC. (US) 1981-05-20 EP disclosed