SCHEMBL6137944

SCHEMBL6137944

NCCC1CNCCN1CCN.NCCCN1CCN(CCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.35
CXCR4 P61073 3/20 0.35
SIGMAR1 Q99720 2/20 0.33
CYP2D6 P10635 1/20 0.33
ZDHHC9 Q9Y397 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28806944 0.89 TAAR1 (0.39) TAAR1
SCHEMBL223161 0.89 TAAR1 (0.38) TAAR1ALOX15
Piperazine SCHEMBL28159548 0.85 TAAR1 (0.36) TAAR1CXCR4
SCHEMBL11208673 0.84 TAAR1 (0.38) KEAP1SMN1; SMN2TAAR1ALOX15CXCR4
SCHEMBL19212597 0.83 CXCR4 (0.37) SMN1; SMN2TAAR1ALOX15CXCR4HSD17B10
SCHEMBL224089 0.82 TAAR1 (0.42) TAAR1
Formaldehyde SCHEMBL7057305 0.80 TAAR1 (0.36) TAAR1
Piperazine SCHEMBL28220092 0.80 TAAR1 (0.40) TAAR1CXCR4
SCHEMBL28109576 0.79 APAF1 (0.35) TAAR1
SCHEMBL11288313 0.78 TAAR1 (0.54) TAAR1CYP2D6ZDHHC9

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-1170407-B1 ELASTIC POLYURETHANE-UREA FIBER AND PROCESS FOR PRODUCING THE SAME ASAHI CHEMICAL IND (JP) 2005-12-14 EP disclosed
EP-1170407-A1 ELASTIC POLYURETHANE-UREA FIBER AND PROCESS FOR PRODUCING THE SAME Asahi Kasei Kabushiki Kaisha (JP) 2002-01-09 EP disclosed