SCHEMBL5498748

SCHEMBL5498748

CC(C)COC(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
SCN4A P35499 5/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10652751 0.80 TAAR1 (0.41) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL13676858 0.78 TACR1 (0.46) TAAR1ADRA2ALMNAKDM4EALDH1A1
SCHEMBL3092744 0.78 TAAR1 (0.41) TAAR1ADRA2ALMNAKDM4EALDH1A1
SCHEMBL2178101 0.78 DPP4 (0.44) TAAR1SCN4AADRA2AADRA2CLMNA
SCHEMBL27610659 0.78 SRC (0.41) TAAR1SCN4AADRA2AADRA2CLMNA
SCHEMBL28453256 0.75 HTR2A (0.43) TAAR1ADRA2ALMNAKDM4EALDH1A1
SCHEMBL5506617 0.75 LMNA (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL19798765 0.75 LMNA (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL28507818 0.75 NPSR1 (0.39) TAAR1ADRA2ALMNAKDM4EALDH1A1
SCHEMBL5179528 0.75 DPP4 (0.41) TAAR1SCN4AADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153016-A Preparation method of pimavanserin BEIJING NUOKANGDA PHARMACEUTICAL TECHNOLOGY CO LTD 2015-12-16 CN claimed
EP-1794126-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS Acadia Pharmaceuticals Inc. (US) 2007-06-13 EP disclosed
WO-2006037043-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS ACADIA PHARMACEUTICALS INC. (US) 2006-04-06 WO disclosed