SCHEMBL26655852

SCHEMBL26655852

NCCN(Cc1cccc(Cl)c1)CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
PNMT P11086 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
OPRM1 P35372 8/20 0.43
OPRK1 P41145 8/20 0.43
OPRD1 P41143 5/20 0.43
AOC3 Q16853 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT1 Q99873 1/20 0.40
PYCR1 P32322 1/20 0.38
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL26656051 0.94 OPRM1 (0.46) TAAR1PNMTTSHRRECQLOPRM1
SCHEMBL11466186 0.79 TSHR (0.53) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL31500392 0.79 TSHR (0.53) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL21902246 0.78 TSHR (0.51) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL21902239 0.78 TSHR (0.51) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL12993155 0.76 PYCR1 (0.56) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL21902245 0.75 TSHR (0.49) TAAR1PNMTTSHRRECQLAOC3
SCHEMBL26658419 0.75 TAAR1 (0.47) TAAR1PNMTTSHRRECQLOPRM1
SCHEMBL26658416 0.75 TAAR1 (0.47) TAAR1PNMTTSHRRECQLOPRM1
Hydrochloric Acid SCHEMBL30606538 0.74 TAAR1 (0.46) TAAR1PNMTTSHRRECQLOPRM1

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-2023203254-A2 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2023-10-26 WO disclosed