SCHEMBL6027482

SCHEMBL6027482

CCN(C(=O)O)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.49
BAZ2B Q9UIF8 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
OXTR P30559 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
HPGDS O60760 1/20 0.43
CYP11B1 P15538 4/20 0.42
AVPR1A P37288 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP11B2 P19099 3/20 0.41
WNT3A P56704 2/20 0.40

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
SCHEMBL5116737 0.86 LDHA (0.50) LDHABAZ2BNPC1RAB9ASMN1; SMN2
SCHEMBL5106786 0.85 LDHA (0.49) LDHABAZ2BNPC1RAB9ASMN1; SMN2
SCHEMBL6027504 0.81 HTT (0.49) ALDH1A1GLATSHROXTRNPC1
SCHEMBL28760239 0.79 BAZ2B (0.45) LDHABAZ2BALDH1A1OXTRNPC1
SCHEMBL27654625 0.79 ALDH1A1 (0.60) ALDH1A1GLATSHRNPC1RAB9A
SCHEMBL5106595 0.76 LDHA (0.53) LDHABAZ2BHPGDSCYP11B1FFAR1
SCHEMBL380050 0.74 ALDH1A1 (0.76) ALDH1A1GLATSHRNPC1RAB9A
SCHEMBL5102869 0.74 LDHA (0.50) LDHABAZ2BOXTRHPGDSCYP11B1
SCHEMBL13327616 0.73 RAB9A (0.48) LDHABAZ2BNPC1RAB9ASMN1; SMN2
SCHEMBL15421297 0.73 CYP11B1 (0.50) LDHABAZ2BALDH1A1RAB9AHPGDS

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-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed