SCHEMBL9523645

SCHEMBL9523645

N#CC1=CCCc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.38
CYP3A4 P08684 2/20 0.38
CYP19A1 P11511 9/20 0.36
CYP11B1 P15538 8/20 0.36
SRD5A1 P18405 2/20 0.36
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
GRM5 P41594 1/20 0.31
NOTUM Q6P988 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL769025 0.86 PARP1 (0.40) CYP11B2CYP3A4CYP19A1SRD5A1USP8
SCHEMBL644307 0.81 KDM4C (0.36) CYP11B2CYP3A4CYP19A1
SCHEMBL9448042 0.79 PARP10 (0.40) CYP11B2CYP19A1CYP11B1SRD5A1MPO
SCHEMBL9448107 0.79 HTT (0.41) CYP11B2CYP19A1CYP11B1SRD5A1USP8
SCHEMBL17187851 0.77 MPO (0.39) CYP11B2CYP3A4CYP19A1CYP11B1SRD5A1
SCHEMBL8791849 0.76 MPO (0.59) CYP11B2CYP19A1USP8MPO
SCHEMBL2775537 0.74 CES1 (0.39)
SCHEMBL19273850 0.73 FFAR4 (0.43) CYP11B2CYP3A4CYP19A1CYP11B1SRD5A1
SCHEMBL20328104 0.73 CYP11B2 (0.44) CYP11B2CYP3A4CYP19A1CYP11B1SRD5A1
SCHEMBL10657485 0.72 GABRA1 (0.38) CYP3A4CYP19A1MPO

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