SCHEMBL302023

SCHEMBL302023

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NAMPT P43490 2/20 0.40
UTS2R Q9UKP6 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CCR3 P51677 1/20 0.37

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
SCHEMBL3560112 0.91 UTS2R (0.41) MAPTUTS2RSMN1; SMN2CNR1LMNA
SCHEMBL3937222 0.91 DRD2 (0.45) MAPTNAMPTUTS2RSMN1; SMN2CNR1
SCHEMBL3564763 0.86 NAMPT (0.47) MAPTNAMPTUTS2RMEN1KMT2A
SCHEMBL3941457 0.86 CNR1 (0.39) MAPTNAMPTUTS2RSMN1; SMN2CNR1
SCHEMBL3556658 0.84 KMT2A (0.44) MAPTNAMPTUTS2RMEN1KMT2A
SCHEMBL3561750 0.84 NAMPT (0.49) NAMPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3566882 0.84 CCR3 (0.42) MAPTNAMPTMEN1KMT2ACCR3
SCHEMBL3562346 0.84 NAMPT (0.43) NAMPTALDH1A1MEN1KMT2ACCR3
SCHEMBL3562290 0.83 CA1 (0.49) MAPTNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL3562413 0.83 KMT2A (0.42) MAPTNAMPTUTS2RMEN1KMT2A

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
JP-4851328-B2 2012-01-11 JP claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed