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SCHEMBL4669889

SCHEMBL4669889

CNC(=O)Cc1cc(Cl)ccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1.NC(=O)Nc1cc(Br)ccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CXCR6 O00574 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CCR1 P32246 2/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ GPR65 Q8IYL9 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL4669891 1.00 CCR5 (0.43) CCR5NPC1MCHR1SMN1; SMN2LMNA
SCHEMBL3875799 0.91 SMN1; SMN2 (0.48) CCR5NPC1MCHR1SMN1; SMN2LMNA
SCHEMBL3873055 0.91 SMN1; SMN2 (0.48) CCR5NPC1MCHR1SMN1; SMN2LMNA
SCHEMBL3870177 0.89 CXCR6 (0.49) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3870176 0.89 CXCR6 (0.49) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3869168 0.86 CCR1 (0.48) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3869170 0.86 CCR1 (0.48) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3869555 0.86 CCR1 (0.48) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3869999 0.83 NPC1 (0.48) NPC1MCHR1SMN1; SMN2LMNAHPGD
SCHEMBL3870001 0.83 NPC1 (0.48) NPC1MCHR1SMN1; SMN2LMNAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 — — EP claimed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 — — WO claimed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 — — EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 — — WO disclosed