SCHEMBL31511298

SCHEMBL31511298

CC1CCc2cc(Br)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.45
▸ ADRA2A P08913 3/20 0.45
▸ ADRA2B P18089 3/20 0.45
▸ ADRA2C P18825 3/20 0.45
▸ AR P10275 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SRD5A1 P18405 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 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
SCHEMBL17018035 1.00 PNMT (0.45) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL16585592 1.00 PNMT (0.45) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL30294039 1.00 PNMT (0.45) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL13283736 0.87 PNMT (0.50) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL30664953 0.81 PNMT (0.56) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL1982433 0.81 PNMT (0.56) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL26656333 0.81 PNMT (0.56) PNMTADRA2AADRA2BADRA2CAR
SCHEMBL4133012 0.80 AR (0.40) ARESR1ESR2LMNASRD5A1
SCHEMBL21243002 0.80 AR (0.40) ARESR1ESR2LMNASRD5A1
SCHEMBL30499354 0.80 AR (0.40) ARESR1ESR2LMNASRD5A1

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-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
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