SCHEMBL14282927

SCHEMBL14282927

CCOC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
NPY2R P49146 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3664705 0.90 CCR5 (0.46) BACE1NPY2RALDH1A1KDM4E
SCHEMBL14282940 0.87 ALDH1A1 (0.52) NPY2RALDH1A1KDM4ELMNA
SCHEMBL7359674 0.86 ALDH1A1 (0.55) BACE1NPY2RALDH1A1KDM4ETSHR
SCHEMBL9353069 0.83 BCHE (0.56) LMNANPC1RAB9ASLC6A2SLC6A4
SCHEMBL3662230 0.83 BACE1 (0.58) BACE1KDM4ETSHRNPC1
SCHEMBL14198379 0.82 TSHR (0.63) NPY2RALDH1A1KDM4ETSHRGAA
SCHEMBL27622744 0.81 SLC18A3 (0.59) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3391962 0.80 CACNA2D1 (0.61) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL824216 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRGAASMN1; SMN2
SCHEMBL11795167 0.79 SLC6A4 (0.56) BACE1ALDH1A1SLC6A4SLC6A3

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
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed