SCHEMBL10924276

SCHEMBL10924276

COC(=O)c1[nH]c(=O)[nH]c1CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ MAPK10 P53779 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALOX15 P16050 1/20 0.44
▸ REV1 Q9UBZ9 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 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
SCHEMBL10922313 0.83 MEN1 (0.51) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL11189411 0.78 MEN1 (0.57) LMNAALDH1A1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL10921910 0.77 MEN1 (0.56) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7793462 0.72 MAPT (0.55) LMNAALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL10967209 0.72 POLB (0.50) LMNAALDH1A1SMN1; SMN2TP53NPSR1
Hydrochloric Acid SCHEMBL10921886 0.72 KMT2A (0.58) LMNAALDH1A1MAPTSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL10925731 0.70 PKM (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL10921685 0.70 ABCB1 (0.43) LMNAALDH1A1MAPTKDM4ENPSR1
SCHEMBL10915401 0.70 ADRA1D (0.46) KDM4ENPSR1
SCHEMBL10918581 0.70 HTR1A (0.53) LMNAALDH1A1MAPTKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064705-B1 5-AMINOMETHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
US-4371737-A CARDIOTONICS, ANTIHYPERTENSIUES AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-02-01 — — US disclosed
EP-0064705-A1 5-Aminomethyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
Send feedback