SCHEMBL21391337

SCHEMBL21391337

O=C(Nc1cccc(OC2CCN(C(=O)c3cccs3)CC2)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
PABPC1 P11940 1/20 0.55
EIF4H Q15056 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
TP53 P04637 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA5 P31644 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
SCHEMBL21391336 0.85 CSF1R (0.57) KCNK3ALDH1A1MEN1KMT2ANPC1
SCHEMBL4504306 0.81 SMN1; SMN2 (0.62) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL10262389 0.80 RAB9A (0.59) KCNK3KCNK9MEN1KMT2AMAPT
SCHEMBL3289623 0.80 KCNA5 (0.47) PABPC1EIF4HALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4508721 0.79 NPC1 (0.57) KCNK3KCNK9ALDH1A1MEN1KMT2A
SCHEMBL21391330 0.79 PRKAA2 (0.48) MAPTMAPK1NPC1RAB9A
SCHEMBL3295628 0.76 KCNA5 (0.45) ALDH1A1
SCHEMBL20691083 0.75 NAMPT (0.53) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24710978 0.73 MAPT (0.65) ALDH1A1KMT2AMAPTLMNAMAPK1
SCHEMBL23014357 0.73 ALDH1A1 (0.51) PABPC1EIF4HALDH1A1MAPTLMNA

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