SCHEMBL24011636

SCHEMBL24011636

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCCC3c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.46
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL24011251 0.93 ADAM17 (0.47) ADAM17HSD17B10LMNAALDH1A1HRH3
SCHEMBL24011363 0.91 LMNA (0.54) ADAM17LMNAALDH1A1HRH3OPRM1
SCHEMBL24011598 0.85 SMN1; SMN2 (0.57) ADAM17HTTHSD17B10LMNAALDH1A1
SCHEMBL24011270 0.78 PKM (0.45) LMNAALDH1A1HRH3MAPTPKM
SCHEMBL24011567 0.78 PKM (0.43) LMNAALDH1A1MAPTPKM
SCHEMBL26764112 0.77 SMN1; SMN2 (0.52) ADAM17HTTHSD17B10LMNAALDH1A1
SCHEMBL24011343 0.77 LMNA (0.55) ADAM17LMNAALDH1A1HRH3KMT2A
SCHEMBL24011472 0.76 NPC1 (0.58) ADAM17HSD17B10ALDH1A1HRH3MAPT
SCHEMBL24011556 0.75 ACHE (0.49) ALDH1A1MEN1KMT2A
SCHEMBL24011627 0.74 MEN1 (0.46) ALDH1A1OPRM1MEN1KMT2A

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-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
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