SCHEMBL8650874

SCHEMBL8650874

COc1ccc2c(c1)C(N1CCN(C(=O)C=C(C)C)CC1)CC2

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 15/20 0.77
MTNR1A P48039 9/20 0.71
NQO2 P16083 3/20 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
SCHEMBL8653185 0.89 MTNR1B (0.77) MTNR1BMTNR1ANQO2
SCHEMBL5871334 0.87 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL8661290 0.83 MTNR1B (0.79) MTNR1BMTNR1ANQO2
SCHEMBL8652117 0.83 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8650941 0.82 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL8650947 0.82 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL8650990 0.82 MTNR1B (0.77) MTNR1BMTNR1A
SCHEMBL8648792 0.82 MTNR1B (0.77) MTNR1BMTNR1ANQO2
SCHEMBL8652933 0.82 MTNR1B (0.78) MTNR1BMTNR1ANQO2
SCHEMBL8653603 0.81 MTNR1B (0.81) MTNR1BMTNR1ANQO2

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
US-5780470-A TREATING SLEEP DISORDERS AND DEPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
EP-0745597-A2 Novel melatonergic indanyl piperazines or homopiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 EP disclosed