SCHEMBL28320141

SCHEMBL28320141

NC1CCC(c2cccc3[nH]ccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
HTR1A P08908 5/20 0.41
ADRA1A P35348 1/20 0.41
HTR2C P28335 5/20 0.41
HTR2A P28223 3/20 0.41
HTR2B P41595 3/20 0.41
AHR P35869 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ADRB2 P07550 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR6 P50406 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL17429447 0.85 HTR1A (0.51) HTR1AADRA1AHTR2CAHRTRPV1
SCHEMBL5785336 0.79 HTR2C (0.61) SLC6A4HTR2CHTR2AHTR2BADRB2
SCHEMBL5788466 0.79 HTR2C (0.61) SLC6A4HTR2CHTR2AHTR2BADRB2
SCHEMBL5788471 0.79 HTR2C (0.61) SLC6A4HTR2CHTR2AHTR2BADRB2
SCHEMBL5785328 0.79 HTR2C (0.61) SLC6A4HTR2CHTR2AHTR2BADRB2
SCHEMBL5785331 0.79 HTR2C (0.61) SLC6A4HTR2CHTR2AHTR2BADRB2
SCHEMBL14027792 0.78 HTR1A (0.47) HTR1AADRA1AHTR2CAHRJAK2
SCHEMBL8995183 0.77 HTR1A (0.48) HTR1AADRA1AHTR2CAHRJAK2
SCHEMBL31389951 0.76 AHR (0.43) HTR1AADRA1AHTR2CHTR2AHTR2B
SCHEMBL10676145 0.76 HTR2C (0.63) SLC6A4HTR1AADRA1AHTR2CAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 CN disclosed