SCHEMBL25075404

SCHEMBL25075404

NCC1CC(CCc2ccccc2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PLG P00747 1/20 0.44
POLB P06746 1/20 0.41
GBA1 P04062 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
SCHEMBL1502363 0.76 POLB (0.55) SLC6A4PLGPOLBGBA1
SCHEMBL18892752 0.75 ARG1 (0.43) PLG
SCHEMBL25075555 0.75 GBA1 (0.39) PLGGBA1
SCHEMBL9820752 0.73 PLG (0.40) SLC6A4SLC6A2SLC6A3PLG
SCHEMBL2241250 0.73 GBA1 (0.66) SLC6A4GBA1
SCHEMBL25992610 0.73 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL18995298 0.72 CCR3 (0.42) SLC6A4SLC6A2SLC6A3PLG
SCHEMBL9820857 0.72 CCR3 (0.41) SLC6A4SLC6A2SLC6A3PLG
SCHEMBL27666282 0.72 GBA1 (0.59) SLC6A4SLC6A2SLC6A3PLGPOLB
SCHEMBL16587884 0.72 HRH4 (0.31)

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-2023023287-A1 NOVEL HETEROCYCLIC COMPOUNDS AS SEROTONIN (5-HT) 5-HT2A AND 5-HT2C RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-23 WO disclosed