SCHEMBL26655848

SCHEMBL26655848

CSCCN(CCN)Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
TAAR1 Q96RJ0 2/20 0.46
PNMT P11086 2/20 0.45
AOC3 Q16853 2/20 0.44
PRMT1 Q99873 2/20 0.43
CARM1 Q86X55 1/20 0.43
PYCR1 P32322 1/20 0.41
IDO1 P14902 3/20 0.38
CYP3A4 P08684 2/20 0.38
AGXT P21549 2/20 0.38
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21902246 0.84 TSHR (0.51) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL31500392 0.82 TSHR (0.53) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL11466186 0.82 TSHR (0.53) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL21902245 0.81 TSHR (0.49) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL21902239 0.81 TSHR (0.51) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL14614770 0.79 PYCR1 (0.56) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL26655849 0.77 TAAR1 (0.46) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL26658419 0.75 TAAR1 (0.47) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL21902241 0.75 CARM1 (0.62) TSHRRECQLTAAR1PNMTAOC3
SCHEMBL26655852 0.74 TAAR1 (0.46) TSHRRECQLTAAR1PNMTAOC3

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