SCHEMBL8961071

SCHEMBL8961071

CCc1cc(CCNC(=O)NC2CCCCC2)c2cc(OC)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.70
HTR2C P28335 2/20 0.59
MTNR1B P49286 4/20 0.54
MEN1 O00255 1/20 0.53
EPHX1 P07099 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8961037 0.95 MTNR1A (0.74) MTNR1AHTR2CMTNR1B
SCHEMBL8961161 0.89 MTNR1A (0.69) MTNR1AHTR2CMTNR1BMEN1EPHX1
SCHEMBL8961100 0.88 MTNR1A (0.70) MTNR1AHTR2CMTNR1BMEN1EPHX1
SCHEMBL6076328 0.87 MTNR1A (0.52) MTNR1AHTR2CMTNR1BMEN1EPHX1
SCHEMBL6077072 0.86 EPHX1 (0.58) MTNR1AMEN1EPHX1KMT2ANPC1
SCHEMBL8961302 0.86 MTNR1A (0.90) MTNR1AHTR2CMTNR1B
SCHEMBL8961074 0.85 MTNR1A (0.92) MTNR1AHTR2CMTNR1B
SCHEMBL8961082 0.83 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL8960796 0.83 MTNR1A (0.71) MTNR1AHTR2CMTNR1B
SCHEMBL8961090 0.83 MTNR1A (0.71) MTNR1AHTR2CMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed