SCHEMBL27608594

SCHEMBL27608594

Cc1c(O)cccc1NC(=O)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.44
▸ MMP1 P03956 5/20 0.42
▸ MMP2 P08253 5/20 0.42
▸ MMP9 P14780 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ KDM4E B2RXH2 2/20 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
SCHEMBL7191119 0.84 BTK (0.49) MAPTGAALMNAHTTHSD17B10
SCHEMBL8641397 0.81 MMP1 (0.61) MAPTGAALMNAHTTNPC1
SCHEMBL18010920 0.81 HSD17B10 (0.53) MAPTGAALMNAHTTHSD17B10
SCHEMBL5725423 0.79 ALDH1A1 (0.57) MAPTGAALMNAHTTHSD17B10
SCHEMBL27479697 0.76 NPC1 (0.64) MAPTGAALMNAHTTHSD17B10
SCHEMBL28031204 0.76 ESR2 (0.47) MAPTGAALMNAHTTHSD17B10
SCHEMBL5866194 0.75 HSP90AA1 (0.46) LMNAHTTHSD17B10NPC1TP53
SCHEMBL8403273 0.74 HTT (0.48) MAPTGAALMNAHTTHSD17B10
SCHEMBL7924678 0.74 HSD17B10 (0.46) MAPTLMNAHTTHSD17B10NPC1
SCHEMBL5723835 0.74 POLB (0.64) MAPTLMNAHTTHSD17B10NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 — — CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 — — CN disclosed
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