SCHEMBL662214

SCHEMBL662214

CCC(N)CN[C@@H](CC)CN

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
OPRD1 P41143 1/20 0.30
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1274779 1.00 OPRK1 (0.38) OPRK1LMNACNR1ADRA1ATDP1
SCHEMBL2848977 0.96 OPRK1 (0.36) OPRK1OPRD1
Hydrochloric Acid SCHEMBL8935805 0.80 OPRK1 (0.36) OPRK1ABCC3SMN1; SMN2
SCHEMBL1743063 0.79 LMNA (0.56) OPRK1LMNACNR1ADRA1ATDP1
SCHEMBL9550954 0.76 OPRK1 (0.30) OPRK1
SCHEMBL3398732 0.74
SCHEMBL7517034 0.74 OPRK1 (0.42) OPRK1
SCHEMBL13673857 0.72
SCHEMBL30493720 0.71 LMNA (0.31) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL20988158 0.71 LMNA (0.46) OPRK1LMNACNR1ADRA1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252865-B2 Supramolecular polymer-containing bituminous composition CECA S.A. (FR) 2012-08-28 US disclosed
US-20120046395-A1 SUPRAMOLECULAR POLYMER-CONTAINING BITUMINOUS COMPOSITION CECA S.A. (FR) 2012-02-23 US disclosed
US-8076398-B2 Supramolecular polymer-containing bituminous composition CECA S.A. (FR) 2011-12-13 US disclosed
US-20110034593-A1 SUPRAMOLECULAR POLYMER-CONTAINING BITUMINOUS COMPOSITION CECA S.A. (FR) 2011-02-10 US disclosed