SCHEMBL20141467

SCHEMBL20141467

Cc1cc(C)c(C(=O)O)cc1CN1CCN(c2ccccc2)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CHRM4 P08173 1/20 0.38
FAAH O00519 2/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 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
SCHEMBL20140941 0.84 GRM1 (0.46) LMNAALDH1A1CHRM4SLC6A9
SCHEMBL29180966 0.75 ESR1 (0.44) ESR1ESR2MAPTALDH1A1TSHR
SCHEMBL29180961 0.75 ESR1 (0.44) ESR1ESR2MAPTALDH1A1TSHR
SCHEMBL30837317 0.75 ESR1 (0.44) ESR1ESR2MAPTALDH1A1TSHR
SCHEMBL25154269 0.73 DRD4 (0.53) MAPTKCNH2ADORA2AADORA1CHRM4
SCHEMBL20157463 0.72 GRM1 (0.41) ALDH1A1CHRM4NOTUM
SCHEMBL20140098 0.70 ALDH1A1 (0.56) MAPTALDH1A1RAB9ANOTUM
SCHEMBL20140126 0.67 MTOR (0.53) LMNAALDH1A1KCNH2
SCHEMBL18436327 0.67 CTSB (0.51) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL20818283 0.67 ALDH1A1 (0.48) MAPTLMNAMEN1KMT2AALDH1A1

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