SCHEMBL8237997

SCHEMBL8237997

CCCCCC(C)NCCCN

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ADRB2 P07550 3/20 0.39

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
SCHEMBL11557085 0.98 DNM1 (0.46) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11551363 0.98 DNM1 (0.46) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11552759 0.98 DNM1 (0.46) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL20393388 0.98 DNM1 (0.46) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11138246 0.98 DNM1 (0.46) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL4539635 0.94 DNM1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28667085 0.92 DNM1 (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1961496 0.91 RELA (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6888361 0.88 ADH1B (0.47) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL996511 0.88 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079130-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2007-07-12 WO disclosed