SCHEMBL8879246

SCHEMBL8879246

N#Cc1ccc2[nH]cc(C3CCN(CCCNC(=O)c4nccc5ccccc45)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 11/20 0.54
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47
▸ GABRQ Q9UN88 1/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ DRD2 P14416 1/20 0.46

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
SCHEMBL8878623 0.94 CCR2 (0.54) CCR2DRD2DRD3
SCHEMBL8878088 0.88 CCR2 (0.56) CCR2HTR6DRD2DRD3HTR1A
SCHEMBL8878342 0.86 CCR2 (0.54) CCR2HTR6DRD2DRD3HTR1A
SCHEMBL8876762 0.86 CCR2 (0.54) CCR2GABRPGABRDGABRA1GABRB1
SCHEMBL8876410 0.86 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL8877934 0.85 CCR2 (0.49) CCR2DRD2DRD3
SCHEMBL8879735 0.84 CCR2 (0.48) CCR2HTR6DRD2DRD3HTR1A
SCHEMBL8877298 0.84 ADRA1D (0.54) CCR2KCNH2DRD2DRD3
SCHEMBL8877686 0.84 CCR2 (0.56) CCR2DRD2DRD3
SCHEMBL8878754 0.82 DRD2 (0.51) CCR2HTR6DRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 — — US disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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