SCHEMBL16130554

SCHEMBL16130554

CC(=O)NCC1CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.72
MTNR1B P49286 9/20 0.72

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
SCHEMBL1567238 0.86 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL1567241 0.86 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL8916581 0.85 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL12964162 0.85 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL9499994 0.84 HTR6 (0.54) MTNR1AMTNR1B
SCHEMBL24105927 0.84 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL6631961 0.84 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL21471468 0.81 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL14356155 0.79 MTNR1B (0.50) MTNR1AMTNR1B
SCHEMBL6272803 0.79 MTNR1B (0.50) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed