SCHEMBL14707968

SCHEMBL14707968

NCCCC[C@H](NN)C(=O)N[C@@H](CCCCN)C(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 10/20 0.47
▸ NMT2 O60551 9/20 0.47
▸ CD40 P25942 1/20 0.44
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ GLP1R P43220 3/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ TLR2 O60603 1/20 0.38

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
SCHEMBL20272636 0.95 NMT1 (0.46) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14576026 0.95 NMT1 (0.46) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL20706554 0.94 NMT1 (0.48) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL18359086 0.94 GNAI3 (0.47) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14642615 0.90 GNAI3 (0.44) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14642614 0.90 GNAI3 (0.49) NMT1NMT2GNAI3GNAO1GNAI1
SCHEMBL15084741 0.89 NMT1 (0.42) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL21233587 0.87 NMT1 (0.43) NMT1NMT2CD40GNAI3GNAO1
SCHEMBL18653794 0.85 GNAI3 (0.55) CD40GNAI3GNAO1GNAI1CHRNA1
SCHEMBL14916812 0.85 GNAI3 (0.55) CD40GNAI3GNAO1GNAI1CHRNA1

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-2012170952-A9 COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY NITTO DENKO CORPORATION (JP) 2013-02-21 — — WO disclosed
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