SCHEMBL3380902

SCHEMBL3380902

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.43
POLB P06746 4/20 0.43
ALPI P09923 3/20 0.43
ALPG P10696 3/20 0.43
MAPT P10636 2/20 0.43
GLRA3 O75311 1/20 0.41
GLRA1 P23415 1/20 0.41
GLRB P48167 1/20 0.41
TSHR P16473 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL3376760 0.85 ALPL (0.44) ALPLPOLBALPIALPGMAPT
SCHEMBL3377402 0.84 HTR2A (0.39) POLBKMT2AMEN1
SCHEMBL3379302 0.84 CXCR4 (0.42) POLB
SCHEMBL3377408 0.83 SIGMAR1 (0.42) TSHRKMT2AMEN1LMNA
SCHEMBL3412556 0.83 BCHE (0.42) POLBRAB9ALMNA
SCHEMBL3377710 0.83 SOS1 (0.38) POLBKMT2AMEN1
SCHEMBL3376778 0.83 HTR2A (0.37) POLBLMNA
SCHEMBL3379997 0.83 CXCR4 (0.41) POLBKMT2AMEN1TDP1
SCHEMBL3376674 0.83 CXCR4 (0.41) POLBKMT2ALMNA
SCHEMBL3377315 0.83 ALDH1A1 (0.41) GLRA3GLRB

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed