SCHEMBL3240724

SCHEMBL3240724

Cc1ccc2[nH]c(C3CCC[N]C3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 4/20 0.41
KDM4E B2RXH2 7/20 0.40
MAPT P10636 3/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL3126376 1.00 NPC1 (0.57) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL2201892 0.89 NPC1 (0.72) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL13413905 0.84 NPC1 (0.78) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL3129007 0.84 NPC1 (0.41) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL2265774 0.83 NPC1 (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL19824770 0.82 NPC1 (0.65) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL27367618 0.81 NPC1 (0.57) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL3557180 0.80 HTR2B (0.46) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL2111216 0.77 NPC1 (0.58) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL2595635 0.77 NPC1 (0.54) NPC1RAB9ALMNAMAPTALDH1A1

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed