SCHEMBL26558253

SCHEMBL26558253

CCCCCN(C)C(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.44
OPRM1 P35372 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GGPS1 O95749 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL13079015 0.98 DNM1 (0.48) DNM1CA12CA1CA2CA9
SCHEMBL11528947 0.93 DNM1 (0.35) DNM1OPRM1CA12CA1CA2
SCHEMBL22388655 0.93 DNM1 (0.35) DNM1OPRM1CA12CA1CA2
SCHEMBL24093996 0.91 DNM1 (0.44) DNM1OPRM1CA12CA1CA2
SCHEMBL5539887 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2
SCHEMBL5544687 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2
SCHEMBL28601890 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2
SCHEMBL1728456 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2
SCHEMBL5544717 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2
SCHEMBL10674908 0.88 DNM1 (0.48) DNM1OPRM1CA12CA1CA2

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
WO-2023205074-A1 PROCESSES AND INTERMEDIATES FOR SYNTHESIS OF ADAGRASIB Mirati Therapeutics, Inc. (US) 2023-10-26 WO disclosed
US-20230333477-A1 METHOD OF MANUFACTURING A SEMICONDUCTOR DEVICE TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2023-10-19 US disclosed