SCHEMBL8650941

SCHEMBL8650941

CCC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 17/20 1.00
MTNR1A P48039 10/20 0.77
NQO2 P16083 5/20 0.49

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
SCHEMBL8649877 0.91 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL8653603 0.90 MTNR1B (0.81) MTNR1BMTNR1ANQO2
SCHEMBL8654327 0.90 MTNR1B (0.81) MTNR1BMTNR1ANQO2
SCHEMBL8648818 0.89 MTNR1B (0.80) MTNR1BMTNR1ANQO2
SCHEMBL8649810 0.89 MTNR1B (0.80) MTNR1BMTNR1ANQO2
SCHEMBL8650255 0.87 MTNR1B (0.78) MTNR1BMTNR1A
SCHEMBL8652117 0.87 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL5871334 0.87 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL8648819 0.86 MTNR1B (0.76) MTNR1BMTNR1ANQO2
SCHEMBL8651045 0.85 MTNR1B (1.00) 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