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SCHEMBL4801360

SCHEMBL4801360

C[C@@H](COC(=O)N1CCC(n2c(=O)n(C(=O)O)c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1.O=C(O)N1CCC(n2c(C(F)(F)F)nc3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.37
▸ CCR5 P51681 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 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
SCHEMBL4679682 0.83 FPR2 (0.47) FPR2CCR5ALDH1A1TSHRSMN1; SMN2
SCHEMBL4679688 0.83 FPR2 (0.47) FPR2CCR5ALDH1A1TSHRSMN1; SMN2
SCHEMBL4678002 0.82 CCR5 (0.42) FPR2CCR5ALDH1A1SMN1; SMN2
SCHEMBL4678005 0.78 FPR2 (0.43) FPR2CCR5
SCHEMBL4678008 0.78 FPR2 (0.43) FPR2CCR5
SCHEMBL3749221 0.74 CHRM2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL3631866 0.74 CHRM2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL3746315 0.74 CHRM2 (0.39) TSHRSMN1; SMN2
SCHEMBL3746311 0.74 CHRM2 (0.39) TSHRSMN1; SMN2
SCHEMBL3740216 0.73 JAK2 (0.43) CCR5SMN1; SMN2

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-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP claimed
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