SCHEMBL7933191

SCHEMBL7933191

C=CCN[C@@H]1CCc2cccc(OC)c2[C@@H]1C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
DRD2 P14416 1/20 0.45

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
SCHEMBL7932839 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL7926530 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL7933193 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL7932841 1.00 HTR1A (1.00) HTR1ADRD2
SCHEMBL8672064 0.82 HTR1A (1.00) HTR1A
SCHEMBL8675884 0.82 HTR1A (1.00) HTR1A
SCHEMBL8671073 0.82 HTR1A (1.00) HTR1A
Hydrochloric Acid SCHEMBL7926404 0.81 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL7932964 0.81 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL7932960 0.81 HTR1A (0.98) 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
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP 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
US-5491236-A NERVOUS SYTEM DISORDERS THE UPJOHN COMPANY (US) 1996-02-13 US 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