SCHEMBL4750669

SCHEMBL4750669

OC1CNC[C@H](Cc2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
MC4R P32245 1/20 0.41
SLC18A3 Q16572 1/20 0.41
TACR3 P29371 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL14256284 1.00 GBA1 (0.53) GBA1MC4RSLC18A3TACR3MEN1
SCHEMBL19190084 1.00 GBA1 (0.53) GBA1MC4RSLC18A3TACR3MEN1
SCHEMBL14256047 0.88 GBA1 (0.59) GBA1MC4RCCR3
SCHEMBL19189701 0.84 TRPA1 (0.39) GBA1
SCHEMBL18663528 0.84 TRPA1 (0.39) GBA1
SCHEMBL19189525 0.84 GBA1 (0.38) GBA1
SCHEMBL18663776 0.84 GBA1 (0.38) GBA1
SCHEMBL1742163 0.84 GBA1 (0.63) GBA1MC4RCCR3
Hydrochloric Acid SCHEMBL21523631 0.82 GBA1 (0.61) GBA1CCR3
SCHEMBL22030379 0.80 GBA1 (0.50) GBA1MC4RCCR3

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-3143875-B1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS INC (US) 2020-05-27 EP disclosed
EP-3143875-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM Amicus Therapeutics, Inc. (US) 2017-03-22 EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed