SCHEMBL21391336

SCHEMBL21391336

O=C(Nc1cccc(OC2CCN(C(=O)c3ccncc3)CC2)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.57
PDGFRB P09619 1/20 0.57
KIT P10721 1/20 0.57
DDR1 Q08345 1/20 0.57
KCNK3 O14649 1/20 0.57
PRKAA2 P54646 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NAMPT P43490 2/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NLRP3 Q96P20 1/20 0.49
MGLL Q99685 1/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL10260514 0.86 HTR1F (0.52) CSF1RPDGFRBKITDDR1KCNK3
SCHEMBL21391330 0.85 PRKAA2 (0.48) CSF1RPDGFRBKITDDR1PRKAA2
Hydrochloric Acid SCHEMBL4504668 0.85 HTR1F (0.51) CSF1RPDGFRBKITDDR1KCNK3
SCHEMBL21391337 0.85 KCNK3 (0.56) KCNK3ALDH1A1HTTNPC1RAB9A
SCHEMBL21391331 0.83 KIT (0.77) CSF1RPDGFRBKITDDR1KCNK3
SCHEMBL10262389 0.82 RAB9A (0.59) KCNK3NPC1RAB9ANLRP3F2
Hydrochloric Acid SCHEMBL4508721 0.81 NPC1 (0.57) KCNK3ALDH1A1NPC1RAB9ANLRP3
SCHEMBL20695982 0.80 CSF1R (0.65) CSF1RPDGFRBKITDDR1ALDH1A1
SCHEMBL14597201 0.78 ACHE (0.61) ALDH1A1HTTMEN1KMT2A
SCHEMBL20691083 0.78 NAMPT (0.53) NAMPTNPC1RAB9AF2PLG

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