SCHEMBL14282941

SCHEMBL14282941

O=C(O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.54
BACE1 P56817 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
KDM1A O60341 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
KCNA3 P22001 1/20 0.48
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 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
SCHEMBL12123733 0.88 PRCP (0.55) PRCPBACE1KDM4ECYP1A2CYP3A4
SCHEMBL4695183 0.85 PRCP (0.52) PRCPBACE1KDM4ECYP1A2CYP3A4
SCHEMBL4253158 0.85 PRCP (0.55) PRCPBACE1KDM4EKDM1ACARM1
SCHEMBL3662230 0.84 BACE1 (0.58) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14282940 0.84 ALDH1A1 (0.52) PRCPKDM4ELMNA
SCHEMBL7280401 0.83 SLC18A3 (0.58) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4072745 0.82 PRCP (0.49) PRCPBACE1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11794123 0.81 ADRA1D (0.60) CYP2D6HTR2AHTR2CLMNASIGMAR1
SCHEMBL14198387 0.81 DRD2 (0.60) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL8054450 0.80 HTR2A (0.51) BACE1KDM4ECYP1A2CYP3A4CYP2D6

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