SCHEMBL4734970

SCHEMBL4734970

Cc1nc2ccccc2n1C1CCN(C(=O)O)[C@@H](CCCN(Cc2ccccc2)Cc2ccccc2)C1.O=C(O)N1CCC(n2ccc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ CCR5 P51681 15/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3806769 0.81 FPR2 (0.41) LMNACCR5FPR2
SCHEMBL4678002 0.78 CCR5 (0.42) LMNACCR5CYP2D6FPR2
SCHEMBL1838649 0.76 DRD2 (0.41) CCR5FPR2KMT2AKCNH2
SCHEMBL4675598 0.74 CYP3A4 (0.40) CYP2D6
SCHEMBL4674483 0.74 ALDH1A1 (0.45) LMNACCR5CYP2D6MEN1KMT2A
SCHEMBL4738085 0.73 TNKS (0.42) CCR5KMT2A
SCHEMBL4734750 0.72 DPP7 (0.37) CYP2D6MEN1KMT2A
SCHEMBL4730149 0.72 HSD11B1 (0.41) CYP2D6
SCHEMBL3670664 0.72 CALCRL (0.46) NPSR1
SCHEMBL1835272 0.72 OPRM1 (0.50) LMNACYP2D6KCNH2MAPK1NPSR1

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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