SCHEMBL9192067

SCHEMBL9192067

CCCCCCCCCCC(CCCN)C(C)N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.57
DNM1 Q05193 8/20 0.50
OPRM1 P35372 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
TRPV1 Q8NER1 1/20 0.43
TRPA1 O75762 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL4584791 0.96 SPHK1 (0.57) SPHK1DNM1OPRM1MEN1KMT2A
SCHEMBL9190706 0.91 SPHK1 (0.45) SPHK1DNM1OPRM1MEN1KMT2A
SCHEMBL25983231 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL21217006 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL25831975 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL2338645 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL19441327 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL12728004 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL2332779 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1
SCHEMBL2328466 0.91 SPHK1 (0.60) SPHK1DNM1OPRM1TSHRTRPV1

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-0530696-B1 Process for the preparation of pentane 1,5-diamines BASF AG (DE) 1995-08-09 EP disclosed
EP-0530696-A2 Process for the preparation of pentane 1,5-diamines BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed