SCHEMBL551389

SCHEMBL551389

Cc1cc(NC(=O)C2CCC2)ccc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.38
GBA1 P04062 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GLA P06280 1/20 0.38
PDE7A Q13946 1/20 0.37
MAPT P10636 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPK14 Q16539 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
SCHEMBL2697853 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL549346 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL551388 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2697855 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL549345 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL551743 0.98 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2701931 0.98 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL551742 0.98 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL549275 0.98 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL549274 0.98 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO disclosed