SCHEMBL16622647

SCHEMBL16622647

NN1CCN(C(=O)S)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAI1 P63096 1/20 0.39
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL24073037 0.85
SCHEMBL14864006 0.74 GNAI3 (0.41) GNAI3GNAI1ALDH1A1POLB
SCHEMBL21907248 0.74 GNAI3 (0.41) GNAI3GNAI1ALDH1A1POLB
SCHEMBL5816229 0.74 GNAI3 (0.41) GNAI3GNAI1ALDH1A1POLB
SCHEMBL24904293 0.73
SCHEMBL4342558 0.73
SCHEMBL3222974 0.72 CYP1A2 (0.59) GNAI3GNAI1ALDH1A1
SCHEMBL2693942 0.72 CYP1A2 (0.59) POLB
SCHEMBL25516579 0.72 CYP1A2 (0.59) ALDH1A1
SCHEMBL3976543 0.71

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
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed