SCHEMBL31662904

SCHEMBL31662904

CN[C@@H](C)C(=O)N1CCN(c2ccc(CN3C(=O)C(Cl)=C(Cl)C3O)c(C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PANK3 Q9H999 2/20 0.35
TP53 P04637 1/20 0.35
CCR1 P32246 1/20 0.35
RORC P51449 1/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADAM17 P78536 2/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
MC4R P32245 2/20 0.33
NAMPT P43490 1/20 0.33
PDK2 Q15119 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL31662699 0.87 GAA (0.39) MAPTALDH1A1SMN1; SMN2CCR1MAPK1
SCHEMBL31662949 0.81 CCR1 (0.39) MAPTALDH1A1GFERSMN1; SMN2TP53
SCHEMBL31663188 0.81 MMP13 (0.34) MAPTALDH1A1GFERSMN1; SMN2RORC
SCHEMBL31662878 0.81 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL31663164 0.80 ADRB1 (0.45) ALDH1A1TP53HTTLMNATSHR
SCHEMBL31662798 0.78 KHK (0.42) MAPTALDH1A1GFERHTTTSHR
SCHEMBL31662831 0.78 MC4R (0.38) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL31662839 0.78 MC4R (0.37) MAPTALDH1A1LMNATSHRNPSR1
SCHEMBL31662796 0.76 AOC3 (0.39) ALDH1A1GFERPANK3RORC
SCHEMBL31662832 0.74 WNT3A (0.35) ALDH1A1SMN1; SMN2RORC

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed