SCHEMBL28048653

SCHEMBL28048653

c1ccc(CCC2NCCc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.71
SLC22A1 O15245 1/20 0.71
OPRM1 P35372 6/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ADRB2 P07550 1/20 0.48
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 2/20 0.45
OPRK1 P41145 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL28157379 0.86 PRCP (0.54) PRCPSLC22A1OPRM1GAASMN1; SMN2
SCHEMBL9411283 0.84 GID4 (0.59) PRCPSLC22A1OPRM1SMN1; SMN2OPRK1
SCHEMBL29427922 0.83 SLC22A1 (0.49) PRCPSLC22A1HTR2A
SCHEMBL4160731 0.83 PRCP (1.00) PRCPSLC22A1OPRM1GAASMN1; SMN2
SCHEMBL5812041 0.83 PRCP (1.00) PRCPSLC22A1OPRM1GAASMN1; SMN2
SCHEMBL29768314 0.83 PRCP (1.00) PRCPSLC22A1OPRM1GAASMN1; SMN2
SCHEMBL5284097 0.83 PRCP (1.00) PRCPSLC22A1OPRM1GAASMN1; SMN2
Water SCHEMBL28203568 0.82 PRCP (0.97) PRCPSLC22A1OPRM1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL8823234 0.82 PRCP (0.97) PRCPSLC22A1OPRM1GAASMN1; SMN2
Bromide SCHEMBL11804751 0.82 PRCP (0.49) PRCPSLC22A1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331010-A Method for synthesizing spiro compound by oxidative dearomatization 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2025-01-21 CN disclosed
CN-119000838-A Computer-aided isoquinoline alkaloid diagnostic ion acquisition method 中国科学院大连化学物理研究所 2024-11-22 CN disclosed
CN-105125522-B A kind of hyaluronic acid-cationic drug ion pair particle 四川大学 2018-08-21 CN disclosed
CN-107529531-A Triazole-N- phenethyl tetrahydroisoquinolicompounds compounds and its preparation method and application 中国药科大学 2018-01-02 CN disclosed
CN-106798742-A The new application of tetrahydroisoquinoline alkaloid 中国药科大学 2017-06-06 CN disclosed
CN-105125522-A Hyaluronic acid-cationic drug ion pair particle UNIV SICHUAN 2015-12-09 CN disclosed