SCHEMBL30296391

SCHEMBL30296391

N#Cc1nc2ccccc2nc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2D6 P10635 2/20 0.59
MAPT P10636 2/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTR6 P50406 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTR3A P46098 2/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.47
CSNK1A1 P48729 2/20 0.46

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
SCHEMBL7377147 1.00 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL2342217 0.83 TAAR1 (0.43) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL28610794 0.83 HSD17B10 (0.67) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL31184383 0.81 POLB (0.70) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL24970930 0.78 TAAR1 (0.57) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL31142938 0.78 TAAR1 (0.57) CYP1A2CYP3A4CYP2D6MAPTCASP1
Hydrochloric Acid SCHEMBL29268332 0.77 TAAR1 (0.56) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL4307835 0.76 HTR3A (0.66) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL31652347 0.76 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6MAPTCASP1
SCHEMBL31143046 0.76 HTR3A (0.66) CYP1A2CYP3A4CYP2D6MAPTCASP1

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-115717128-A Vibrio cholerae bacteriophage for preventing and treating vibrio diseases of aquatic animals and application thereof 厦门昶科生物工程有限公司 2023-02-28 CN disclosed