SCHEMBL21206243

SCHEMBL21206243

CC(C)CCCC[C@H](C)N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38

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
SCHEMBL11229772 1.00 OPRM1 (0.63) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22221856 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL14006779 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22474102 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL21142889 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL19395998 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22221818 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
Octodrine SCHEMBL2253652 0.93
Octodrine SCHEMBL2248637 0.93
Octodrine SCHEMBL250416 0.93

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
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
EP-3349802-B1 LIPOCATIONIC DENDRIMERS AND USES THEREOF UNIV TEXAS (US) 2021-08-04 EP disclosed
EP-3517245-A1 SHAPED ABRASIVE PARTICLE AND METHOD OF FORMING SAME Saint-Gobain Ceramics & Plastics Inc. (US) 2019-07-31 EP disclosed