SCHEMBL9520577

SCHEMBL9520577

CCNCC1CCCc2cc(OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.53
SIGMAR1 Q99720 1/20 0.52
HTR6 P50406 1/20 0.50

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
Hydrochloric Acid SCHEMBL9523635 0.99 KDM4C (0.53) KDM4CSIGMAR1
SCHEMBL9521784 0.90 KDM4C (0.52) KDM4CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL9520744 0.88 KDM4C (0.51) KDM4CSIGMAR1HTR6
SCHEMBL10467194 0.86 HTR6 (0.58) KDM4CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL9520181 0.85 HTR6 (0.57) KDM4CSIGMAR1HTR6
SCHEMBL10175568 0.84 SIGMAR1 (0.57) SIGMAR1HTR6
SCHEMBL23023200 0.84 KDM4C (0.52) KDM4CSIGMAR1HTR6
SCHEMBL2207814 0.80 HTR6 (0.71) SIGMAR1HTR6
SCHEMBL5474348 0.80 HTR6 (0.54) KDM4CSIGMAR1HTR6
SCHEMBL5172930 0.79 SIGMAR1 (0.61) SIGMAR1

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