SCHEMBL16408580

SCHEMBL16408580

Clc1cc(Cl)cc(CN2CC[C@@H]3CC2c2cc(N4CCOCC4)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 1.00
TMEM97 Q5BJF2 7/20 0.50

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
SCHEMBL16408516 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18100561 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL18099266 1.00 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL21499081 0.84 SIGMAR1 (0.91) SIGMAR1TMEM97
SCHEMBL18099316 0.84 SIGMAR1 (0.91) SIGMAR1TMEM97
SCHEMBL16408550 0.84 SIGMAR1 (0.91) SIGMAR1TMEM97
SCHEMBL16408521 0.84 SIGMAR1 (0.91) SIGMAR1TMEM97
SCHEMBL16408641 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL16408581 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL21498991 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015009742-A2 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-01-22 WO disclosed