SCHEMBL24011251

SCHEMBL24011251

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCCC3c3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 9/20 0.47
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PPID Q08752 1/20 0.42
▸ SCD O00767 1/20 0.42
▸ SCD5 Q86SK9 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL24011636 0.93 ADAM17 (0.46) ADAM17LMNAALDH1A1HSD17B10HRH3
SCHEMBL24011363 0.91 LMNA (0.54) ADAM17LMNAALDH1A1HRH3OPRM1
SCHEMBL24011472 0.84 NPC1 (0.58) ADAM17ALDH1A1HSD17B10RAB9APPID
SCHEMBL24011556 0.81 ACHE (0.49) ALDH1A1
SCHEMBL24011560 0.78 NPC1 (0.57) LMNAALDH1A1RAB9APPIDHRH3
SCHEMBL24011270 0.78 PKM (0.45) LMNAALDH1A1HRH3
SCHEMBL24011567 0.78 PKM (0.43) LMNAALDH1A1RAB9A
SCHEMBL24011598 0.78 SMN1; SMN2 (0.57) ADAM17LMNAALDH1A1HSD17B10RAB9A
SCHEMBL24011343 0.77 LMNA (0.55) ADAM17LMNAALDH1A1RAB9AHRH3
SCHEMBL26633877 0.76 NPC1 (0.53) ADAM17ALDH1A1HSD17B10RAB9APPID

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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