SCHEMBL30853463

SCHEMBL30853463

Clc1ccc2c(c1)NCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR2B P41595 4/20 0.47
F7 P08709 1/20 0.44
PARP1 P09874 1/20 0.44
F3 P13726 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PNMT P11086 2/20 0.44
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PYGL P06737 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL3873031 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BF7PARP1
Hydrochloric Acid SCHEMBL2334738 0.98 HTR2A (0.46) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL25058873 0.94 HTR2A (0.46) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL549646 0.88 F7 (0.56) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL29924038 0.88 F7 (0.56) HTR2AHTR2CHTR2BF7PARP1
Ammonia Solution, Strong SCHEMBL7043924 0.86 F7 (0.55) HTR2AHTR2CHTR2BF7PARP1
Hydrochloric Acid SCHEMBL8645796 0.86 F7 (0.55) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL24286959 0.85 JAK2 (0.45) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL1091532 0.84 MAPT (0.54) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL24286714 0.82 AHR (0.41) HTR2AHTR2CHTR2BF7PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119931978-A Application of monoamine oxidase as catalyst in preparation of quinoline nitrogen heterocyclic compound 河北工业大学 2025-05-06 CN disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
CN-115397822-B CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2024-04-16 CN disclosed