SCHEMBL9523155

SCHEMBL9523155

COc1ccc2c(c1)CCCC2C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KDM4C Q9H3R0 3/20 0.46
CHRNA7 P36544 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARD Q03181 1/20 0.44

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
SCHEMBL19002290 0.91 MTNR1A (0.51) MTNR1AMTNR1BPPARD
SCHEMBL1844672 0.88 SIRT1 (0.53) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL31613070 0.87 HSD17B10 (0.49) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
Hydrochloric Acid SCHEMBL10467836 0.87 SIRT1 (0.52) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL30940169 0.87 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL10467833 0.87 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL14711226 0.87 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL9740277 0.85 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7
SCHEMBL9523174 0.85 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KDM4CMTNR1B
SCHEMBL9522314 0.82 C5AR1 (0.46) TAS1R3TAS1R1TAS1R2KDM4CCHRNA7

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