SCHEMBL7932811

SCHEMBL7932811

COc1cccc2c1CC(N1C[C@@H](C)O[C@H](C)C1)CC2

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
DRD4 P21917 2/20 0.43

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
SCHEMBL7932817 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL7932813 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL8676617 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7932910 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7932906 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7935305 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9018570 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL20460429 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL4215401 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL9727207 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3MTNR1AMTNR1B

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
JP-2785879-B2 1998-08-13 JP claimed
WO-1992006967-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-04-30 WO claimed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP claimed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO claimed
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-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