SCHEMBL7935545

SCHEMBL7935545

O=C(O)c1cccc2c1CC(N1CCCCCC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
HTR1D P28221 2/20 0.49
HTR1A P08908 1/20 0.46
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53BP1 Q12888 1/20 0.44
GRIN2B Q13224 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL7932829 0.89 PARP2 (0.47) HTR7HTR1DHTR1AL3MBTL3L3MBTL1
SCHEMBL9509332 0.89 PARP2 (0.47) HTR7HTR1DHTR1AL3MBTL3L3MBTL1
SCHEMBL7926494 0.88 HTR7 (0.47) HTR7HTR1DHTR1AL3MBTL3L3MBTL1
SCHEMBL7932845 0.86 KDM4E (0.49) HTR7HTR1DHTR1AL3MBTL3L3MBTL1
SCHEMBL11072209 0.81 HTR7 (0.69) HTR7HTR1DHTR1A
SCHEMBL7932835 0.81 HTR7 (0.69) HTR7HTR1DHTR1A
Hydrochloric Acid SCHEMBL7926756 0.80 HTR7 (0.67) HTR7HTR1DHTR1A
SCHEMBL14591337 0.77 HTR1D (0.51) HTR7HTR1DHTR1AGRIN2BSIGMAR1
SCHEMBL7935409 0.77 HTR1D (0.51) HTR7HTR1DHTR1AL3MBTL3L3MBTL1
SCHEMBL14591377 0.77 HTR1D (0.51) HTR7HTR1DHTR1AGRIN2BSIGMAR1

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 4 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