SCHEMBL7505511

SCHEMBL7505511

CC(C)c1ccc(CCNc2ccnc3c(F)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.47
▸ ADRA1D P25100 4/20 0.47
▸ ADRA1A P35348 4/20 0.47
▸ ADRA1B P35368 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CCNC P24863 4/20 0.42
▸ CDK8 P49336 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RCE1 Q9Y256 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
SCHEMBL23202861 0.86 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7505544 0.86 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7505881 0.86 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL30827848 0.86 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7510138 0.86 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7504497 0.84 LMNA (0.56) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7505000 0.84 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7505428 0.84 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7509062 0.83 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7501348 0.83 CCNC (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 — — EP disclosed
CN-1034204-C Substituted quinolines and cinnolines LILLY CO ELI (US) 1997-03-12 — — CN disclosed
US-5294622-A Fungicides, insecticides, miticides DOWELANCO (US) 1994-03-15 — — US disclosed
US-5114939-A Amine or ether substitutes compounds of quinoline or cinnoline DOWELANCO (US) 1992-05-19 — — US disclosed
CN-1034717-A The quinoline and the cinnolines that replace LILLY CO ELI (US) 1989-08-16 — — CN disclosed
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