SCHEMBL4265888

SCHEMBL4265888

CC(C)(CS(=O)(=O)c1cccc2ccccc12)OC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.43
▸ F2 P00734 1/20 0.43
▸ HTR2B P41595 4/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL29155320 0.72 SIGMAR1 (0.45) HTR6SIGMAR1KDM4EKMT2AACHE
SCHEMBL13382859 0.71 ITGB3 (0.52) ITGB3ITGA2BKDM4E
SCHEMBL4266289 0.71 CNR1 (0.59) TSHRKDM4EALDH1A1LMNAHPGD
SCHEMBL13172360 0.70 SMN1; SMN2 (0.55) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL20886930 0.69 SMN1; SMN2 (0.60) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL4678247 0.69 KMT2A (0.56) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL4360123 0.68 FAAH (0.38) HTR1ASIGMAR1HPGD
SCHEMBL4363957 0.68 P2RY12 (0.41) SIGMAR1
Hydrochloric Acid SCHEMBL4678245 0.68 KMT2A (0.55) HTR6HTR1AHTR7HTR1DHTR1B
SCHEMBL10982828 0.68 USP2 (0.40) SIGMAR1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056828-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-05-13 — — EP disclosed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 — — WO disclosed
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