SCHEMBL9019774

SCHEMBL9019774

CCCN=C1CCCc2cccc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
G6PC1 P35575 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19726779 0.79 MAPT (0.33) GAAMAPTSMN1; SMN2G6PC1ALDH1A1
SCHEMBL19713073 0.75 ALDH1A1 (0.34) GAALMNAMAPTSMN1; SMN2G6PC1
SCHEMBL21772223 0.72 CYP3A4 (0.37) GAALMNAALDH1A1
SCHEMBL18015677 0.68 BCL2L1 (0.41) MAOA
SCHEMBL23264525 0.66 CYP2A6 (0.48) MAOAGAALMNAMAPTSMN1; SMN2
SCHEMBL5238902 0.66 MAOA (0.48) MAOAMAPT
SCHEMBL28121136 0.66 TSHR (0.35) GAALMNAMAPTALDH1A1
SCHEMBL8876400 0.65 DRD2 (0.32)
SCHEMBL8876396 0.65 DRD2 (0.32)
SCHEMBL21202780 0.65 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed