SCHEMBL7926425

SCHEMBL7926425

C=CCC1Cc2cccc(OC)c2C(C(=O)OC)C1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.49
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 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
SCHEMBL7935755 0.76 HTR1A (0.52) HTR1AMTNR1AMTNR1B
SCHEMBL7932822 0.72 HTR1A (0.52) HTR1A
SCHEMBL7926523 0.68 HTR1A (0.53) HTR1A
SCHEMBL24650829 0.67 HTR1A (0.54) HTR1AMTNR1AMTNR1B
SCHEMBL7926530 0.66 HTR1A (1.00) HTR1A
SCHEMBL7932841 0.66 HTR1A (1.00) HTR1A
SCHEMBL7933191 0.66 HTR1A (1.00) HTR1A
SCHEMBL7932839 0.66 HTR1A (1.00) HTR1A
SCHEMBL8997679 0.66 MTNR1A (0.32) HTR1AMTNR1AMTNR1B
SCHEMBL7933193 0.66 HTR1A (1.00) HTR1A

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-6331636-B1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL THE UPJOHN COMPANY 2001-12-18 US disclosed
US-5545755-A USEFUL TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, HYPERTENSION, DIABETES, SEXUAL IMPOTENCY AND TO CONTROL APPETITE THE UPJOHN COMPANY (US) 1996-08-13 US disclosed
EP-0552246-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1993-07-28 EP disclosed
WO-1992006967-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-04-30 WO disclosed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP disclosed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed