SCHEMBL754539

SCHEMBL754539

O=C(NC1C2CNCC21)OCc1cc(C(=O)O)no1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
RAB9A P51151 8/20 0.34
NPC1 O15118 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8509620 0.86 NPC1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15655546 0.79 ENPP2 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15655562 0.75 SMYD3 (0.38) RAB9ANPC1SMN1; SMN2
SCHEMBL2324598 0.74 CHRM1 (0.35) RAB9ANPC1
SCHEMBL17438421 0.72 ALDH1A1 (0.56) NAAASMN1; SMN2ALDH1A1
SCHEMBL19015180 0.72 ALDH1A1 (0.56) NAAASMN1; SMN2ALDH1A1
SCHEMBL17438422 0.72 ALDH1A1 (0.56) NAAASMN1; SMN2ALDH1A1
SCHEMBL15748998 0.72 ALDH1A1 (0.56) NAAASMN1; SMN2ALDH1A1
SCHEMBL8512944 0.71 RAB9A (0.38) RAB9ANPC1ALDH1A1
SCHEMBL753832 0.71 HDAC3 (0.41) RAB9ANPC1ALDH1A1

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
EP-2429998-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130943-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed