SCHEMBL9523559

SCHEMBL9523559

COc1ccc2c(c1)CC(c1ccccc1)CC2=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
CYP19A1 P11511 4/20 0.56
ABCB1 P08183 1/20 0.52
AR P10275 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
DRD2 P14416 1/20 0.49
GAA P10253 1/20 0.49
MIF P14174 1/20 0.49
MAOA P21397 2/20 0.48
METAP1 P53582 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL25732148 0.88 ABCB1 (0.56) MAOBCYP19A1ABCB1ARABCG2
SCHEMBL10070698 0.85 MAOB (0.45) MAOBCYP19A1ALDH1A1KDM4EMAPT
SCHEMBL10815794 0.84 CYP19A1 (0.66) MAOBCYP19A1ALDH1A1KDM4EMAPT
SCHEMBL4361668 0.83 ALDH1A1 (0.49) MAOBCYP19A1ABCB1ARABCG2
SCHEMBL10695151 0.80 CYP19A1 (0.61) MAOBCYP19A1ALDH1A1KDM4EMAPT
SCHEMBL344573 0.79 CYP19A1 (0.50) MAOBCYP19A1ABCB1ARABCG2
SCHEMBL344572 0.79 CYP19A1 (0.50) MAOBCYP19A1ABCB1ARABCG2
SCHEMBL9146594 0.79 CYP19A1 (0.63) MAOBCYP19A1ABCB1ARABCG2
SCHEMBL31619577 0.78 ALDH1A1 (0.55) MAOBCYP19A1ALDH1A1KDM4EHTR2A
SCHEMBL1699503 0.78 ALDH1A1 (0.55) MAOBCYP19A1ALDH1A1KDM4EHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed