SCHEMBL7745378

SCHEMBL7745378

CC(c1ccccc1N)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
KCNA5 P22460 3/20 0.45
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.41
CYP2D6 P10635 1/20 0.40
P4HB P07237 1/20 0.38
SMAD3 P84022 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL12248160 0.81 KCNA5 (0.46) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL10731017 0.80 CHRM2 (0.50) ALDH1A1CYP3A4CYP2D6LMNAMAPT
SCHEMBL6476590 0.80 GAA (0.41) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL4105367 0.79 DPP4 (0.62) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL22711434 0.79 DPP4 (0.47) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL13553401 0.78 P4HB (0.52) KCNA5TSHRALDH1A1CYP3A4CYP2C19
SCHEMBL16272261 0.78 KCNA5 (0.45) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL16463458 0.76 ALDH1A1 (0.47) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL9779461 0.76 KCNA5 (0.42) DPP4KCNA5TSHRALDH1A1CYP3A4
SCHEMBL16849214 0.75 KCNA5 (0.44) DPP4KCNA5TSHRALDH1A1CYP3A4

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-2001072272-A2 STABLE ALKALINE HAIR BLEACHING COMPOSITIONS AND METHOD FOR USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2001-10-04 WO disclosed