SCHEMBL6926700

SCHEMBL6926700

CCOC(=O)CCCCn1nnc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 3/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL6653807 0.84 LTA4H (0.58) ALDH1A1TP53LTA4HUSP2CYP1A2
SCHEMBL6324652 0.80 HPGD (0.63) NPSR1MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL21774158 0.78 LMNA (0.47) NPSR1MAPTL3MBTL1HPGDTSHR
SCHEMBL3734067 0.76 ALDH1A1 (0.58) NPSR1MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL7061698 0.75 LMNA (0.63) NPSR1MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL22362132 0.72 KMT2A (0.59) MAPTALDH1A1HPGDLTA4HSMN1; SMN2
SCHEMBL3731329 0.71 ALDH1A1 (0.57) NPSR1MAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL5847214 0.71 KMT2A (0.58) MAPTALDH1A1HPGDLTA4HSMN1; SMN2
SCHEMBL766897 0.70 MAPT (0.58) MAPTALDH1A1HPGDLTA4HSMN1; SMN2
SCHEMBL25786343 0.70 MAPT (0.57) NPSR1MAPTL3MBTL1ALDH1A1MAPK1

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-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed