SCHEMBL8650283

SCHEMBL8650283

COc1ccc2c(c1)C(N1CCCN(C(=O)C3CC3)CC1)CC2

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 14/20 0.91
MTNR1A P48039 5/20 0.91
RORC P51449 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 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
SCHEMBL8652117 0.96 MTNR1B (1.00) MTNR1BMTNR1ARORCPKM
SCHEMBL8653620 0.93 MTNR1B (0.91) MTNR1BMTNR1ARORCPKM
SCHEMBL8652905 0.93 MTNR1B (0.91) MTNR1BMTNR1ARORCPKM
SCHEMBL8649814 0.91 MTNR1B (1.00) MTNR1BMTNR1APKM
SCHEMBL8648822 0.86 MTNR1B (0.92) MTNR1BMTNR1A
SCHEMBL5871334 0.84 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8653325 0.83 MTNR1B (0.78) MTNR1BMTNR1ARORC
SCHEMBL8654436 0.83 MTNR1B (0.92) MTNR1BMTNR1A
SCHEMBL8650941 0.83 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8651037 0.82 MTNR1B (0.74) MTNR1BMTNR1ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745597-A2 Novel melatonergic indanyl piperazines or homopiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 EP claimed
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