SCHEMBL14837879

SCHEMBL14837879

CCC(=O)N1CCN([C@@H](C)c2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 12/20 0.49
▸ EPHX2 P34913 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CSF1R P07333 1/20 0.41

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
SCHEMBL402638 0.90 ACKR3 (0.48) ACKR3NPSR1ALDH1A1
SCHEMBL402891 0.90 ACKR3 (0.48) ACKR3NPSR1ALDH1A1
SCHEMBL29714045 0.89 ACKR3 (0.51) ACKR3NPSR1CSF1R
SCHEMBL402357 0.89 ACKR3 (0.51) ACKR3NPSR1CSF1R
SCHEMBL3215386 0.89 ACKR3 (0.51) ACKR3NPSR1CSF1R
SCHEMBL3211931 0.89 ACKR3 (0.51) ACKR3NPSR1CSF1R
SCHEMBL403312 0.89 ACKR3 (0.51) ACKR3NPSR1CSF1R
SCHEMBL399132 0.87 ACKR3 (0.49) ACKR3NPSR1CSF1R
SCHEMBL401365 0.87 ACKR3 (0.49) ACKR3NPSR1CSF1R
SCHEMBL401351 0.86 ACKR3 (0.49) ACKR3EPHX2NPSR1CSF1R

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-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed
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