SCHEMBL10918399

SCHEMBL10918399

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2CN2CCC(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 3/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10914047 0.90 HSD11B1 (0.50) BCHEACHENR3C1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL10916739 0.89 HSD11B1 (0.49) BCHEACHENR3C1ALDH1A1LMNA
SCHEMBL10922313 0.84 MEN1 (0.51) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10917978 0.82 ALDH1A1 (0.49) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10916248 0.81 ALDH1A1 (0.51) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10914304 0.81 ACHE (0.44) KMT2ADRD4BCHEACHEALDH1A1
SCHEMBL10918979 0.80 ALDH1A1 (0.52) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10967209 0.80 POLB (0.50) KMT2ADRD2CCR3DRD4DRD3
Hydrochloric Acid SCHEMBL10922643 0.79 POLB (0.42) KMT2ADRD2DRD3ALDH1A1LMNA
SCHEMBL10920934 0.79 TSHR (0.51) KMT2AALDH1A1LMNASMN1; SMN2

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
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 — — EP disclosed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
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