SCHEMBL29162913

SCHEMBL29162913

O=C(CNc1ccnc2ccccc12)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
FAP Q12884 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
FERMT2 Q96AC1 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MALT1 Q9UDY8 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
SCHEMBL12505120 0.89 HRH3 (0.51) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL24928106 0.80 FAP (0.73) FAP
SCHEMBL29362282 0.79 HTR1A (0.65) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL1520512 0.79 HTR1A (0.65) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL28069310 0.77 HTR1A (0.63) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL28462567 0.77 PREP (0.72) FAP
SCHEMBL6984768 0.75 HTR1A (0.59) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL11566047 0.73 CCKBR (0.49) HRH3ADRA1DADRA1AADRA1BMAPT
SCHEMBL21101629 0.73 PREP (0.64) FAP
SCHEMBL19563520 0.73 HRH3 (1.00) HRH3HTR1AADRA1DADRA1AADRA1B

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-117642188-A Radiopharmaceuticals based on ((R) -1- ((6-hydrazinonicotinyl) -D-alanyl) pyrrolidin-2-yl) boronic acid (HYNIC-IFAP) for detection of fibroblast activation protein overexpression 国家核研究所 2024-03-01 CN disclosed