SCHEMBL29020717

SCHEMBL29020717

N#Cc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.52
▸ FNTB P49356 2/20 0.52
▸ PGGT1B P53609 2/20 0.52
▸ TMEM97 Q5BJF2 7/20 0.49
▸ SIGMAR1 Q99720 7/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR1E P28566 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL30386308 1.00 FNTA (0.52) FNTAFNTBPGGT1BTMEM97SIGMAR1
SCHEMBL30385944 0.89 SMN1; SMN2 (0.50) FNTAFNTBPGGT1BTMEM97SIGMAR1
SCHEMBL29020752 0.89 SMN1; SMN2 (0.50) FNTAFNTBPGGT1BTMEM97SIGMAR1
SCHEMBL22581840 0.83 TMEM97 (0.52) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL34468439 0.81 FNTA (0.51) FNTAFNTBPGGT1BTMEM97SIGMAR1
SCHEMBL22920548 0.81 PANK3 (0.56) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL30384600 0.81 TMEM97 (0.50) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL29020756 0.81 TMEM97 (0.53) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL29020741 0.81 TMEM97 (0.50) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL30385390 0.81 TMEM97 (0.53) TMEM97SIGMAR1HTR1AADRA2AADRA2B

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
CN-115919859-B Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine 四川海思科制药有限公司 2024-01-05 — — CN disclosed
CN-115919859-A Pharmaceutical composition of heteroaryl derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-07 — — CN disclosed
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