SCHEMBL8501738

SCHEMBL8501738

Cc1ccc(CCCCCCCCCCCCCCN)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2A6 P11509 1/20 0.67
MAOA P21397 1/20 0.58
HRH1 P35367 5/20 0.57
HTR2A P28223 2/20 0.57
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
TACR2 P21452 1/20 0.42

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
SCHEMBL8500975 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501187 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501852 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8498343 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8501179 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8502039 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8502202 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL8500424 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL4867215 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL5605018 1.00 TAAR1 (0.67) TAAR1CYP1A2CYP2A6MAOAHRH1

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
EP-0688679-B1 Method for reversible thermosensitive recording TOPPAN PRINTING CO LTD (JP) 1999-07-14 EP disclosed
EP-0418399-B1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM TOPPAN PRINTING CO LTD (JP) 1996-08-28 EP disclosed
EP-0688679-A1 Method for reversible thermosensitive recording Toppan Printing Co., Ltd. (JP) 1995-12-27 EP disclosed
US-5178669-A COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIA TOPPAN PRINTING CO., LTD. (JP) 1993-01-12 US disclosed
EP-0418399-A1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM Toppan Printing Co., Ltd. (JP) 1991-03-27 EP disclosed