SCHEMBL18132889

SCHEMBL18132889

C[C@@H](N)C(=O)NC(CCN)CCCN

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 6/20 0.44
▸ DPP8 Q6V1X1 5/20 0.44
▸ SLC15A1 P46059 1/20 0.43
▸ DPP9 Q86TI2 4/20 0.43
▸ DPP4 P27487 2/20 0.43
▸ RRM1 P23921 1/20 0.40
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ GABRR1 P24046 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ GSR P00390 1/20 0.34
▸ CTRB1 P17538 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
Bromide SCHEMBL11534772 0.84 DPP7 (0.41) DPP7DPP8SLC15A1DPP9DPP4
SCHEMBL18132883 0.76 KISS1R (0.46) DPP7DPP8SLC15A1DPP9DPP4
SCHEMBL27793445 0.76 NOD1 (0.56) DPP7DPP8DPP4NOD1GSR
SCHEMBL29674589 0.76 NOD1 (0.56) DPP7DPP8DPP4NOD1GSR
SCHEMBL29406243 0.76 NOD1 (0.56) DPP7DPP8DPP4NOD1GSR
SCHEMBL27793444 0.76 NOD1 (0.56) DPP7DPP8DPP4NOD1GSR
SCHEMBL25099321 0.74 DPP7 (0.40) DPP7DPP8SLC15A1DPP9DPP4
SCHEMBL19091233 0.74 DPP7 (0.58) DPP7DPP8SLC15A1DPP9DPP4
SCHEMBL11511521 0.74 DPP8 (0.41) DPP7DPP8SLC15A1DPP9DPP4
SCHEMBL19080499 0.73 DPP7 (0.57) DPP7DPP8SLC15A1DPP9DPP4

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
US-9463254-B2 Molecular design toward dual-modality probes for radioisotope-based imaging (PET or SPECT) and MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-10-11 — — US disclosed
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