SCHEMBL29167667

SCHEMBL29167667

CCC1C=CC=CC1(c1ccccn1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
POLQ O75417 1/20 0.33
IL1B P01584 1/20 0.33
HSD11B1 P28845 3/20 0.32
SORT1 Q99523 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29167663 0.91 CYP2D6 (0.32) KDM4EALDH1A1TDP1
SCHEMBL29167645 0.86 PSEN1 (0.32)
SCHEMBL29167684 0.85 NPSR1 (0.36) NPC1KDM4EHTTTDP1L3MBTL1
SCHEMBL29167626 0.84 TRPA1 (0.33) RAB9AKDM4EALDH1A1HTT
SCHEMBL29167679 0.84 SLC6A2 (0.33)
SCHEMBL29167744 0.82 CNR1 (0.35)
SCHEMBL29167680 0.82 KMT2A (0.40) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL29167671 0.80 CASP6 (0.32)
SCHEMBL29167659 0.76 L3MBTL1 (0.39) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL29167713 0.74 OPRM1 (0.35)

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
CN-117624029-A Arylpyridine or arylpiperidine derivative or salt thereof, synthesis and application and medicine 赣江中药创新中心 2024-03-01 CN disclosed