SCHEMBL21391409

SCHEMBL21391409

Cc1ccc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1OC1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.56
CSF1R P07333 2/20 0.56
PDGFRB P09619 2/20 0.56
DDR1 Q08345 2/20 0.56
ALDH1A1 P00352 5/20 0.53
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
ABL1 P00519 4/20 0.48
LCK P06239 1/20 0.48
BLK P51451 1/20 0.48
DDR2 Q16832 1/20 0.48
NAMPT P43490 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
JAK1 P23458 1/20 0.43

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
SCHEMBL21391366 0.91 KIT (0.57) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391420 0.91 KIT (0.57) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391361 0.90 KIT (0.57) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391395 0.89 KIT (0.56) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391405 0.88 KIT (0.59) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391367 0.87 KIT (0.68) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21385153 0.85 KIT (0.66) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL29634986 0.85 KIT (0.66) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391365 0.85 KIT (0.54) KITCSF1RPDGFRBDDR1ALDH1A1
SCHEMBL21391402 0.83 KIT (0.55) KITCSF1RPDGFRBDDR1ALDH1A1

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-2019178801-A1 NOVEL PHENOXY PIPERIDINE DERIVATIVE AND USES THEREOF 中国科学院合肥物质科学研究院 2019-09-26 WO disclosed