SCHEMBL9821025

SCHEMBL9821025

CCC(O)c1c(C)nc2ccccc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 5/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ NUDT1 P36639 1/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GLA P06280 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46

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
SCHEMBL9821028 0.83 HSD17B10 (0.55) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL9821010 0.75 KMT2A (0.56) ALDH1A1HPGDCYP1A2SMN1; SMN2KDM4E
SCHEMBL27296318 0.73 ALDH1A1 (0.64) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL30025532 0.73 ALDH1A1 (0.64) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL440157 0.73 ALDH1A1 (0.64) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL27374101 0.72 HSD17B10 (0.62) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL6530612 0.70 HSD17B10 (0.56) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL12877163 0.70 GPR3 (0.43) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL9820858 0.70 HSD17B10 (0.72) HSD17B10TP53ALDH1A1HPGDCYP1A2
SCHEMBL12877165 0.70 MAOA (0.46) HSD17B10TP53ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258755-B1 ALPHA-ALKYL-4-AMINO-3-QUINOLINE-METHANOLS AND 1-(4-ARALKYLAMINO-3-QUINOLINYL) ALKANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-11 — — EP claimed
US-4789678-A Memory enhancing α-alkyl-4-amino-3-quinolinemethanols and 1-(4-aralkylamino-3-quinolinyl)alkanones and related compounds HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-06 — — US claimed
EP-0258755-A1 Alpha-alkyl-4-amino-3-quinoline-methanols and 1-(4-aralkylamino-3-quinolinyl) alkanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-03-09 — — EP claimed
EP-0258755-B1 ALPHA-ALKYL-4-AMINO-3-QUINOLINE-METHANOLS AND 1-(4-ARALKYLAMINO-3-QUINOLINYL) ALKANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-11 — — EP disclosed
US-4840972-A Relief from memory dysfunction with α-alkyl-4-amino-3-quinolinemethanols and 1-(4-aralkylamino-3-quinolinyl)alkanones and related compounds HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-20 — — US disclosed
US-4789678-A Memory enhancing α-alkyl-4-amino-3-quinolinemethanols and 1-(4-aralkylamino-3-quinolinyl)alkanones and related compounds HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-06 — — US disclosed
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