SCHEMBL20140661

SCHEMBL20140661

Cc1c(CC2CCNCC2)cc(C(=O)O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
ADRB3 P13945 2/20 0.40
ADRA2B P18089 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
ADRA1B P35368 2/20 0.40
P2RY14 Q15391 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NOTUM Q6P988 2/20 0.39
GBA1 P04062 1/20 0.39
SLC6A4 P31645 3/20 0.36
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL27762499 0.73 KDM1A (0.43) GBA1SLC6A4MEN1CYP2D6KMT2A
SCHEMBL5274832 0.71 KDM4E (0.44) NOTUMMEN1KMT2AGABRPGABRD
SCHEMBL20140659 0.70 PLAT (0.40) MEN1CYP2D6KMT2A
SCHEMBL20139848 0.70 KDM4E (0.42) NOTUMMEN1KMT2AGABRPGABRD
SCHEMBL20141358 0.69 KDM4E (0.41) NOTUMMEN1KMT2AGABRPGABRD
SCHEMBL5190879 0.67 IRAK4 (0.36)
SCHEMBL23230317 0.67 SLC6A4 (0.44) MAOAGBA1SLC6A4
SCHEMBL27411185 0.67 KDM4E (0.54) NOTUMMEN1KMT2AGABRPGABRD
SCHEMBL28086811 0.66 GBA1 (0.51) MAOAGBA1SLC6A4
SCHEMBL28794378 0.65 MAOA (0.41) MAOAGBA1SLC6A4PPARGTSHR

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 1 patent. 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