SCHEMBL31033152

SCHEMBL31033152

c1ccc2c(c1)CCCN2CCN1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
USP2 O75604 1/20 0.62
CDK4 P11802 1/20 0.62
ALOX15 P16050 1/20 0.62
CCND1 P24385 1/20 0.62
CHRM2 P08172 11/20 0.58
CHRM4 P08173 11/20 0.58
CHRM1 P11229 11/20 0.58
CHRM3 P20309 11/20 0.58
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL2674965 0.98 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20956997 0.92 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7951597 0.89 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450359 0.87 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20144695 0.87 DRD2 (0.61) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11798363 0.86 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20148244 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25365620 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11183187 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450283 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4

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-2024163956-A2 SIGMA RECEPTOR LIGAND COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 WO disclosed