SCHEMBL7951219

SCHEMBL7951219

COc1ccc2c(c1)C(CCNC(C)=O)C1(CC2)Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.59
MTNR1B P49286 16/20 0.59
NQO2 P16083 13/20 0.59
HTR2C P28335 1/20 0.47

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
SCHEMBL7950253 0.88 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL7953980 0.84 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7945323 0.75 MTNR1A (0.53) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685396 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950293 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685402 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7954049 0.73 TRPV1 (0.55) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950130 0.73 MTNR1A (0.86) MTNR1AMTNR1BNQO2
SCHEMBL7104353 0.73 MTNR1A (0.86) MTNR1AMTNR1BNQO2
SCHEMBL7950125 0.72 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2C

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-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed