SCHEMBL8536631

SCHEMBL8536631

O=C1c2ccccc2CCC1CCCC(=O)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.52
ACHE P22303 3/20 0.50
CYP19A1 P11511 1/20 0.48
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM1 P11229 3/20 0.46
HTR1A P08908 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CHRM3 P20309 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL8532071 0.99 ACHE (0.52) HTR2CACHECYP19A1CHRM2CHRM4
SCHEMBL8534917 0.95 ACHE (0.51) HTR2CACHECYP19A1CHRM2CHRM4
SCHEMBL8536658 0.91 HTR2C (0.50) HTR2CACHECYP19A1CHRM2CHRM4
SCHEMBL9344141 0.90 HTR2C (0.49) HTR2CACHECYP19A1HTR1ASIGMAR1
SCHEMBL9344339 0.90 LMNA (0.54) HTR2CACHECYP19A1HTR1ASIGMAR1
SCHEMBL8536795 0.82 CYP19A1 (0.54) HTR2CACHECYP19A1HTR1ASIGMAR1
SCHEMBL8535701 0.81 CYP19A1 (0.51) HTR2CACHECYP19A1CHRM2CHRM4
SCHEMBL8536592 0.80 CYP19A1 (0.50) HTR2CACHECYP19A1ALDH1A1KMT2A
SCHEMBL7167409 0.78 CYP19A1 (0.53) HTR2CACHECYP19A1HTR1ASIGMAR1
SCHEMBL8531164 0.77 CYP19A1 (0.49) HTR2CACHECYP19A1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
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