SCHEMBL23810222

SCHEMBL23810222

CC1(NC(=O)c2cc3ccc(-c4ccc(N5CCOCC5)cc4)cc3o2)CCC(F)(F)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SLC16A3 O15427 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL20341862 0.82 BMPR1B (0.36) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL18615936 0.82 MAOA (0.33) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL18617379 0.82 NPC1 (0.42) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL18615951 0.80 BMPR1B (0.35) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL20341831 0.79 MAPT (0.32) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL20341745 0.75 SMN1; SMN2 (0.42) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL23810304 0.74 RAB9A (0.39) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL18615914 0.74 MAPT (0.31) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL18616494 0.73 CTSL (0.43) POLBNAMPT
SCHEMBL20341790 0.73 NAMPT (0.42) NPC1KMT2ARAB9AMEN1MAPT

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-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
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