SCHEMBL7935409

SCHEMBL7935409

Brc1cccc2c1CC(N1CCCC1)CC2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.51
HTR7 P34969 2/20 0.50
HTR1A P08908 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
GRIN2B Q13224 4/20 0.43
L3MBTL3 Q96JM7 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39

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
SCHEMBL14591335 0.87 HTR7 (0.49) HTR1DHTR7HTR1AGRIN2BOPRM1
SCHEMBL14591337 0.81 HTR1D (0.51) HTR1DHTR7HTR1AGRIN2B
SCHEMBL14591377 0.81 HTR1D (0.51) HTR1DHTR7HTR1AGRIN2B
SCHEMBL7932835 0.80 HTR7 (0.69) HTR1DHTR7HTR1A
SCHEMBL11072209 0.80 HTR7 (0.69) HTR1DHTR7HTR1A
Hydrochloric Acid SCHEMBL7926756 0.79 HTR7 (0.67) HTR1DHTR7HTR1A
SCHEMBL4215401 0.79 CHRM2 (0.55) HTR1D
SCHEMBL9727380 0.78 HTR7 (0.60) HTR1DHTR7HTR1AGRIN2BOPRM1
SCHEMBL9727223 0.78 HTR7 (0.71) HTR1DHTR7HTR1ATSHR
SCHEMBL11393302 0.78 SIGMAR1 (0.54) HTR1D

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
EP-0552246-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1993-07-28 EP claimed
WO-1992006967-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-04-30 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-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