SCHEMBL30301404

SCHEMBL30301404

CCCCOc1ccc(C(=O)NCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.66
ADRA1A P35348 1/20 0.56
ACHE P22303 1/20 0.53
HTR2A P28223 3/20 0.52
HTR7 P34969 3/20 0.52
DRD2 P14416 2/20 0.52
KCNH2 Q12809 1/20 0.52
ADRA1D P25100 3/20 0.51

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
SCHEMBL24076756 1.00 CCR2 (0.66) CCR2ADRA1AACHEHTR2AHTR7
SCHEMBL11879694 0.86 CCR2 (0.75) CCR2ADRA1AHTR2AHTR7DRD2
SCHEMBL11878825 0.84 CCR2 (0.70) CCR2ADRA1ADRD2
SCHEMBL25759383 0.82 KCNA5 (0.61) CCR2HTR2AHTR7DRD2KCNH2
SCHEMBL30376202 0.82 KCNA5 (0.61) CCR2HTR2AHTR7DRD2KCNH2
SCHEMBL6779774 0.81 HRH2 (0.59) CCR2ADRA1D
SCHEMBL11879154 0.81 CCR2 (0.77) CCR2DRD2ADRA1D
Succinic Acid SCHEMBL11876332 0.80 CCR2 (0.68) CCR2ADRA1ADRD2
SCHEMBL25759431 0.80 KCNA5 (0.60) CCR2HTR2AHTR7DRD2KCNH2
SCHEMBL30375766 0.80 KCNA5 (0.60) CCR2HTR2AHTR7DRD2KCNH2

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-4159725-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 EP disclosed