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SCHEMBL1025537

SCHEMBL1025537

Cc1nc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 10/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ KIT P10721 1/20 0.33
▸ CPT2 P23786 1/20 0.31
▸ CPT1A P50416 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30

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
Hydrochloric Acid SCHEMBL1025608 0.99 ACKR3 (0.36) ACKR3MAPK14KITCPT2CPT1A
Hydrochloric Acid SCHEMBL1026430 0.92 MAPK14 (0.33) ACKR3MAPK14KIT
SCHEMBL1029438 0.88 ACKR3 (0.35) ACKR3
Hydrochloric Acid SCHEMBL1024789 0.88 ACKR3 (0.38) ACKR3
Hydrochloric Acid SCHEMBL1026830 0.88 ACKR3 (0.35) ACKR3
SCHEMBL1024361 0.87 MAPK14 (0.37) ACKR3MAPK14KIT
Hydrochloric Acid SCHEMBL1027402 0.86 MAPK14 (0.36) ACKR3MAPK14KIT
Hydrochloric Acid SCHEMBL1025936 0.86 ACKR3 (0.38) ACKR3
SCHEMBL1025569 0.85 ACKR3 (0.41) ACKR3MAPK14KIT
Hydrochloric Acid SCHEMBL1027455 0.85 ACKR3 (0.37) ACKR3CPT2CPT1A

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-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP disclosed