SCHEMBL7013166

SCHEMBL7013166

CCC(C)Oc1ccccc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PNMT P11086 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL28121081 0.86 TAAR1 (0.58) MCHR1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL28121079 0.86 TAAR1 (0.58) MCHR1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL28121080 0.86 TAAR1 (0.58) MCHR1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL10092811 0.85 ADRA2A (0.49) MCHR1ADRA2AADRA2BADRA2CGABRP
SCHEMBL8254794 0.85 MCHR1 (0.44) MCHR1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL8796327 0.84 TAAR1 (0.38) TAAR1PNMTIDO1LMNADPP4
SCHEMBL22397181 0.84 TAAR1 (0.38) TAAR1PNMTIDO1LMNADPP4
SCHEMBL855754 0.82 IRAK4 (0.47) MCHR1TAAR1PNMTALDH1A1
SCHEMBL29786441 0.82 IRAK4 (0.47) MCHR1TAAR1PNMTALDH1A1
SCHEMBL27987190 0.82 KMT2A (0.47) MCHR1TAAR1ADRA2AHTR1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277043-B One-dimensional organic semiconductor nanotube and its preparation method and application INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-04 CN claimed
CN-104277043-A One-dimensional organic semiconductor nanotube as well as preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-01-14 CN claimed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed
CN-104277043-B One-dimensional organic semiconductor nanotube and its preparation method and application INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-04 CN disclosed
CN-104277043-A One-dimensional organic semiconductor nanotube as well as preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-01-14 CN disclosed