SCHEMBL8879735

SCHEMBL8879735

O=C(NCCCN1CCC(c2c[nH]c3ccc(OC(F)(F)F)cc23)CC1)c1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 10/20 0.48
▸ DRD2 P14416 3/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR1D P28221 7/20 0.44
▸ HTR1B P28222 5/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43

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
SCHEMBL8878342 0.90 CCR2 (0.54) CCR2DRD2DRD3HTR1ASLC6A4
SCHEMBL8878336 0.87 CCR2 (0.48) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL8876410 0.87 CCR2 (0.53) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL8878088 0.86 CCR2 (0.56) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL8878754 0.84 DRD2 (0.51) CCR2DRD2DRD3HTR1ASLC6A4
SCHEMBL8879246 0.84 CCR2 (0.54) CCR2DRD2DRD3HTR1AHTR6
SCHEMBL9035452 0.84 CCR2 (0.54) CCR2DRD2DRD3HTR1AHTR2A
SCHEMBL8877298 0.83 ADRA1D (0.54) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL9035279 0.83 CCR2 (0.46) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL8877646 0.82 CCR2 (0.53) CCR2DRD2DRD3

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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