SCHEMBL20140680

SCHEMBL20140680

COC(=O)c1cc(CC2CCNCC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
SLC6A4 P31645 2/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
HTR4 Q13639 2/20 0.38

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
SCHEMBL20140659 0.80 PLAT (0.40) ALDH1A1SMN1; SMN2MAPTCHRM1CHRM2
SCHEMBL4247366 0.79 GBA1 (0.51) SLC6A4ALDH1A1SMN1; SMN2GBA1KDM4E
Hydrochloric Acid SCHEMBL4777910 0.78 GBA1 (0.50) SLC6A4ALDH1A1SMN1; SMN2GBA1KDM4E
SCHEMBL17595529 0.77 LOXL2 (0.55) SLC6A4ALDH1A1SMN1; SMN2GBA1KDM4E
SCHEMBL12488798 0.77 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL29185103 0.77 GBA1 (0.55) P2RX7SLC6A4GBA1PRMT5WDR77
SCHEMBL30781482 0.77 GBA1 (0.55) P2RX7SLC6A4GBA1PRMT5WDR77
SCHEMBL20140685 0.77 EED (0.48) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL12961528 0.76 SLC6A4 (0.56) SLC6A4GBA1
SCHEMBL15999757 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAMAPT

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