SCHEMBL8652117

SCHEMBL8652117

COc1ccc2c(c1)C(N1CCN(C(=O)C3CC3)CC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 15/20 1.00
MTNR1A P48039 5/20 1.00
PKM P14618 1/20 0.52
RORC P51449 1/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 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
SCHEMBL8650283 0.96 MTNR1B (0.91) MTNR1BMTNR1APKMRORC
SCHEMBL8653620 0.95 MTNR1B (0.91) MTNR1BMTNR1APKMRORC
SCHEMBL8652905 0.95 MTNR1B (0.91) MTNR1BMTNR1APKMRORC
SCHEMBL8649814 0.93 MTNR1B (1.00) MTNR1BMTNR1APKM
SCHEMBL5871334 0.88 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8653325 0.87 MTNR1B (0.78) MTNR1BMTNR1ARORCLMNA
SCHEMBL8650941 0.87 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8651037 0.85 MTNR1B (0.74) MTNR1BMTNR1ARORC
SCHEMBL8649810 0.85 MTNR1B (0.80) MTNR1BMTNR1A
SCHEMBL8648792 0.85 MTNR1B (0.77) MTNR1BMTNR1A

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 4 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 claimed
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