SCHEMBL8892964

SCHEMBL8892964

C[C@H](N)CCCCCC[C@H](C)N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.71
TP53 P04637 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
SPHK1 Q9NYA1 2/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 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
SCHEMBL49007 1.00 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL8892979 1.00 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL10922365 1.00 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL7734724 1.00 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL1012485 0.96 OPRM1 (0.75) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL19395998 0.90 OPRM1 (0.60) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL14006779 0.90 OPRM1 (0.60) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL22474102 0.90 OPRM1 (0.60) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL21142889 0.90 OPRM1 (0.60) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL22221856 0.90 OPRM1 (0.60) OPRM1TP53TRPV1TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 US disclosed
EP-0673388-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-09-27 EP disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed