SCHEMBL7935806

SCHEMBL7935806

COc1cccc2c1CC(NCC1CC1)CC2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.61
DRD3 P35462 3/20 0.61
DRD4 P21917 2/20 0.61
MTNR1A P48039 6/20 0.60
MTNR1B P49286 6/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 1/20 0.60
HTR1A P08908 1/20 0.55

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
SCHEMBL9558513 1.00 DRD2 (0.61) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7936627 0.99 DRD2 (0.60) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9757712 0.92 DRD2 (0.55) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL9558617 0.90 DRD2 (0.76) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8892023 0.86 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL9757581 0.86 DRD2 (0.56) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11488849 0.84 DRD2 (0.80) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL9758056 0.84 DRD2 (0.70) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2025960 0.83 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2025138 0.83 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2785879-B2 1998-08-13 JP 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
US-5214156-A Central nervous system disorders, dopamime receptor activity THE UPJOHN COMPANY (US) 1993-05-25 US disclosed
EP-0334538-B1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-02 EP 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
EP-0334538-A1 Therapeutically useful tetralin derivatives THE UPJOHN COMPANY (US) 1989-09-27 EP disclosed