SCHEMBL6986782

SCHEMBL6986782

CCC(CC)[C@@H](C#N)NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
CTSC P53634 2/20 0.44
ATM Q13315 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 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
SCHEMBL13133357 0.83 SIGMAR1 (0.44) SIGMAR1CTSCPOLBCYP3A4TSHR
SCHEMBL9768698 0.73 SIGMAR1 (0.58) SIGMAR1ATMTAAR1OPRK1POLB
SCHEMBL19334491 0.73 SIGMAR1 (0.58) SIGMAR1ATMTAAR1OPRK1POLB
SCHEMBL18435350 0.72 SIGMAR1 (0.72) SIGMAR1ATMTAAR1OPRK1SMN1; SMN2
SCHEMBL10939197 0.70 SIGMAR1 (0.55) SIGMAR1ATMTAAR1OPRK1POLB
SCHEMBL7284929 0.70 SIGMAR1 (0.55) SIGMAR1ATMTAAR1OPRK1POLB
SCHEMBL24019759 0.69 SIGMAR1 (0.47) SIGMAR1CTSCPOLBCYP1A2CYP3A4
SCHEMBL9150896 0.69 SIGMAR1 (0.62) SIGMAR1ATMTAAR1
SCHEMBL1148376 0.69 SIGMAR1 (0.68) SIGMAR1ATMTAAR1OPRK1NPC1
SCHEMBL1168748 0.69 SIGMAR1 (0.45) SIGMAR1POLBALDH1A1LMNACYP1A2

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-1341779-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2003-09-10 EP disclosed
WO-2002057252-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2002-07-25 WO disclosed