SCHEMBL24580906

SCHEMBL24580906

O=C(O)CN1CCN(CC(=O)NC2CCCCCCC2)CCN(CC(=O)O)CCN(CC(O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.59
CHRM5 P08912 3/20 0.57
CHRM3 P20309 2/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CHRM1 P11229 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
DPP4 P27487 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL19636761 0.90 SIGMAR1 (0.71) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL23612751 0.90 SIGMAR1 (0.71) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL19034848 0.90 SIGMAR1 (0.71) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL25634101 0.85 PKM (0.45) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL24374517 0.84 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL6479844 0.78 SIGMAR1 (0.75) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL24863381 0.78 HSD17B10 (0.48) ALDH1A1TSHRKMT2A
SCHEMBL14536510 0.78 HSD17B10 (0.48) ALDH1A1TSHRKMT2A
SCHEMBL25756824 0.78 HSD17B10 (0.48) ALDH1A1TSHRKMT2A
SCHEMBL4494539 0.78 ALDH1A1 (0.57) SIGMAR1CHRM5CHRM3CA12CA1

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
EP-4019502-A1 METHOD FOR PRODUCING RADIOACTIVE METAL COMPLEX Nihon Medi-Physics Co., Ltd (JP) 2022-06-29 EP disclosed