SCHEMBL15219795

SCHEMBL15219795

C#CCCC(N)C(=O)C(=O)NC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
METAP1 P53582 1/20 0.33
KMT2A Q03164 1/20 0.30

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
SCHEMBL16313237 0.81 RAB9A (0.40) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL14943751 0.78 RAB9A (0.35) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL463976 0.78 METAP1 (0.45) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL13274393 0.78 METAP1 (0.45) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL840614 0.78 METAP1 (0.45) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL13049846 0.77 KMT2A (0.39) RAB9ASMN1; SMN2GAANPC1MAPT
Hydrochloric Acid SCHEMBL27922164 0.77 METAP1 (0.44) RAB9ASMN1; SMN2GAANPC1MAPT
Hydrochloric Acid SCHEMBL27922161 0.77 METAP1 (0.44) RAB9ASMN1; SMN2GAANPC1MAPT
SCHEMBL15623642 0.75 METAP1 (0.58) RAB9ASMN1; SMN2GAAMAPTMETAP1
SCHEMBL904231 0.75 METAP1 (0.58) RAB9ASMN1; SMN2GAAMAPTMETAP1

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-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed