SCHEMBL9670829

SCHEMBL9670829

CC(=O)NC1CCc2cc(C(=O)CCl)c(O)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.50
MTNR1B P49286 8/20 0.50
CNR2 P34972 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ACHE P22303 2/20 0.41
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA9 Q16790 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL25196270 0.73 ALDH1A1 (0.38)
SCHEMBL30112224 0.73 ALDH1A1 (0.38)
SCHEMBL9669811 0.72 CA1 (0.72) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3976285 0.72 CA1 (0.72) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9670935 0.70 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9505596 0.69 CA1 (0.55) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL20909871 0.69 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL12586121 0.69 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL20884023 0.69 MTNR1A (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9669346 0.68 MTNR1A (0.55) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286516-B1 Amino-5,6,7,8-tetrahydro-naphtho[2,3b]furan derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-03-18 EP claimed
US-4885373-A AMINE DERVIVATIVES USED AS ANTIDEPRESSANT AND DOPAMINERGIC STIMULANTS ADIR ET CIE (FR) 1989-12-05 US disclosed
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 US disclosed