SCHEMBL20149901

SCHEMBL20149901

C=C(C)c1cc(C)ccc1N1CCCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NCF1 P14598 1/20 0.40
HTR1A P08908 2/20 0.40
HTR3A P46098 2/20 0.40
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
CHKA P35790 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
ADRB2 P07550 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 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
SCHEMBL13419274 0.79 ALDH1A1 (0.47) ALDH1A1NCF1HTR1AHTR3AMAPT
SCHEMBL15872025 0.79 ALDH1A1 (0.55) ALDH1A1NCF1HTR1AHTR3AMAPT
SCHEMBL13907868 0.77 MAPT (0.57) ALDH1A1NCF1HTR1AHTR3AMAPT
SCHEMBL766675 0.76 HTT (0.48) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL27372178 0.76 ALDH1A1 (0.52) ALDH1A1HTR1AHTR3AMAPTUSP2
SCHEMBL23981784 0.75 PAX8 (0.41) ALDH1A1MAPTUSP2THRBLMNA
SCHEMBL614332 0.74 PAX8 (0.43) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL27372179 0.72 ALDH1A1 (0.49) ALDH1A1HTR1AHTR3AMAPTUSP2
SCHEMBL12005978 0.72 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2POLBKDM4E
SCHEMBL24824103 0.72 TSHR (0.54) ALDH1A1MAPTTHRBSMN1; SMN2POLB

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed