SCHEMBL7950253

SCHEMBL7950253

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.62
MTNR1B P49286 18/20 0.62
NQO2 P16083 16/20 0.62
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL7951219 0.88 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL7950125 0.85 MTNR1A (0.67) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7943657 0.81 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL7951348 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951392 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951573 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951212 0.75 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950457 0.75 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7953882 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7943606 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2

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