SCHEMBL20140544

SCHEMBL20140544

Cc1cccc(N2CCN(C(=O)c3cc(C=O)ccc3C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GBA1 P04062 12/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
KRAS P01116 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL20141517 0.78 KDM4E (0.49) ALDH1A1KDM4EATM
SCHEMBL4147974 0.75 POLB (0.51) ALDH1A1GBA1NPC1RAB9AHTR3E
SCHEMBL14758421 0.74 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AHTR3EHTR3B
SCHEMBL20339488 0.73 HTR3E (0.63) ALDH1A1NPC1RAB9AHTR3EHTR3B
SCHEMBL6233177 0.71 ACACB (0.53) ALDH1A1GBA1NPC1RAB9AHTR3E
SCHEMBL6186684 0.70 SMN1; SMN2 (0.60) ALDH1A1GBA1HTR3EHTR3BHTR3A
SCHEMBL27631328 0.70 HCRTR1 (0.49) ALDH1A1GBA1NPC1RAB9AHTR3E
SCHEMBL5462615 0.70 HTR3E (0.77) ALDH1A1NPC1RAB9AHTR3EHTR3B
SCHEMBL6186542 0.70 HCRTR1 (0.56) ALDH1A1GBA1NPC1RAB9AHTR3E
SCHEMBL20141569 0.69 RAB9A (0.46) ALDH1A1GBA1NPC1RAB9AKDM4E

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed