SCHEMBL8876575

SCHEMBL8876575

COc1ccc2c(C3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.50
▸ MAPT P10636 5/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ HTR1A P08908 3/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ DRD2 P14416 3/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ HTR6 P50406 3/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8878677 0.94 CCR2 (0.54) CCR2MAPTDRD3TP53MEN1
SCHEMBL8877651 0.94 CCR2 (0.50) CCR2MAPTDRD3MEN1KMT2A
SCHEMBL8878411 0.90 CCR2 (0.53) CCR2DRD3KMT2ADRD1DRD4
SCHEMBL9033599 0.89 CCR2 (0.47) CCR2MAPTDRD3TP53MEN1
SCHEMBL8876587 0.89 CCR2 (0.51) CCR2TP53HTR1AHTR2ADRD2
SCHEMBL8876997 0.89 ADRA1D (0.50) CCR2HTR1AHTR2ADRD2HTR7
SCHEMBL8879724 0.88 CCR2 (0.56) CCR2HTR1AHTR2ADRD2HTR7
SCHEMBL8876701 0.88 CCR2 (0.56) CCR2DRD3TP53DRD4HTR2A
SCHEMBL8876932 0.88 ADRA1D (0.54) CCR2DRD4HTR2ADRD2HTR7
SCHEMBL8878564 0.88 CCR2 (0.47) CCR2MAPTDRD3MEN1KMT2A

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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