SCHEMBL9036402

SCHEMBL9036402

COc1cccc2c(C(=O)NCCCN3CCC(c4c[nH]c5cc(C#N)ccc45)CC3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.48
▸ DRD3 P35462 3/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ KCNH2 Q12809 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ GABRG1 Q8N1C3 1/20 0.44
▸ GABRG3 Q99928 1/20 0.44

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
SCHEMBL9035552 0.95 KCNH2 (0.49) CCR2DRD3DRD2DRD4KCNH2
SCHEMBL9034447 0.90 ADRA1D (0.50) CCR2DRD2KCNH2HTR1AHTR1B
SCHEMBL9033599 0.90 CCR2 (0.47) CCR2DRD3DRD2HTR1A
SCHEMBL9033135 0.90 CCR2 (0.49) CCR2
SCHEMBL9035293 0.89 CCR2 (0.49) CCR2DRD2HTR1B
SCHEMBL9033156 0.88 CCR2 (0.50) CCR2DRD2KCNH2HTR1AHTR1B
SCHEMBL9035018 0.87 CCR2 (0.44) CCR2DRD3DRD2HTR1AHTR1B
SCHEMBL9034903 0.87 CCR2 (0.53) CCR2DRD3DRD2HTR1A
SCHEMBL8878843 0.86 CCR2 (0.54) CCR2DRD3DRD2DRD4KCNH2
SCHEMBL9034812 0.86 CCR2 (0.50) CCR2DRD2HTR1B

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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