SCHEMBL8536658

SCHEMBL8536658

O=C1c2ccccc2CCC1CCC(=O)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 2/20 0.49
CYP19A1 P11511 1/20 0.49
ACHE P22303 2/20 0.48
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
METAP1 P53582 2/20 0.47

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
SCHEMBL8532071 0.93 ACHE (0.52) HTR2CALDH1A1GAAHPGDKMT2A
SCHEMBL8534917 0.92 ACHE (0.51) HTR2CALDH1A1GAAHPGDKMT2A
SCHEMBL8536631 0.91 HTR2C (0.52) HTR2CALDH1A1GAAHPGDKMT2A
SCHEMBL9344339 0.81 LMNA (0.54) HTR2CALDH1A1HPGDCYP19A1ACHE
SCHEMBL9344141 0.81 HTR2C (0.49) HTR2CALDH1A1HPGDCYP19A1ACHE
SCHEMBL8531749 0.81 CYP19A1 (0.52) HTR2CALDH1A1KMT2ACYP19A1ACHE
SCHEMBL7672871 0.80 CYP19A1 (0.57) HTR2CALDH1A1CYP19A1ACHEHTR1A
SCHEMBL30423421 0.76 METAP1 (0.74) HTR2CACHEHTR1ASIGMAR1METAP1
SCHEMBL6689014 0.75 CYP19A1 (0.61) HTR2CALDH1A1CYP19A1ACHEHTR1A
Hydrochloric Acid SCHEMBL29583950 0.75 METAP1 (0.74) HTR2CACHEHTR1ASIGMAR1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed