SCHEMBL14959009

SCHEMBL14959009

CC#C[C@H]1C(C(=O)Nc2ccccc2)CCCN1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD11B1 P28845 3/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PREP P48147 2/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL12160901 0.82 MEN1 (0.50) GAAMAPTHSD11B1HSD17B1ALDH1A1
SCHEMBL12160727 0.82 MEN1 (0.50) GAAMAPTHSD11B1HSD17B1ALDH1A1
SCHEMBL12160730 0.79 L3MBTL1 (0.47) GAAMAPTHSD11B1HSD17B1ALDH1A1
SCHEMBL12160900 0.79 L3MBTL1 (0.47) GAAMAPTHSD11B1HSD17B1ALDH1A1
SCHEMBL31722815 0.76 ALDH1A1 (0.60) GAAALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL24725070 0.76 NPC1 (0.48) GAAMAPTALDH1A1KMT2ARAB9A
SCHEMBL26899136 0.74 NPC1 (0.46) GAAMAPTHSD11B1HSD17B1ALDH1A1
SCHEMBL26878431 0.74 LMNA (0.48) MAPTHSD11B1HSD17B1ALDH1A1MEN1
SCHEMBL25083897 0.74 LMNA (0.48) MAPTHSD11B1HSD17B1ALDH1A1MEN1
SCHEMBL486204 0.71 MAPT (0.49) DPP4GAAMAPTALDH1A1MEN1

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
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — US disclosed
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