SCHEMBL31662979

SCHEMBL31662979

O=C(Oc1cc[nH]n1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 4/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL31662981 1.00 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL31466149 0.86 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28210911 0.84 TP53 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL23062944 0.83 CYP3A4 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL31127701 0.73 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30311143 0.73 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15313374 0.72 HPGD (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16372067 0.72 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20495492 0.72
SCHEMBL27831921 0.72

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-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed