SCHEMBL11646302

SCHEMBL11646302

Oc1ccc(Br)cc1CN[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.48
▸ SLC2A1 P11166 1/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GFER P55789 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
SCHEMBL11646307 1.00 PABPC1 (0.48) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11648879 0.83 CYP1A2 (0.59) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11648882 0.83 CYP1A2 (0.59) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11592561 0.81 CYP2D6 (0.51) PABPC1CYP1A2HIF1ALMNAGBA1
SCHEMBL11592569 0.81 CYP2D6 (0.51) PABPC1CYP1A2HIF1ALMNAGBA1
SCHEMBL11592566 0.81 CYP2D6 (0.51) PABPC1CYP1A2HIF1ALMNAGBA1
SCHEMBL11647662 0.80 PABPC1 (0.49) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11647657 0.80 PABPC1 (0.49) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11591105 0.79 CYP2D6 (0.43) PABPC1SLC2A1CYP1A2HIF1ALMNA
SCHEMBL11591108 0.79 CYP2D6 (0.43) PABPC1SLC2A1CYP1A2HIF1ALMNA

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
US-4073942-A Halo-substituted hydroxybenzyl-amines as secretolytic agents BOEHRINGER INGELHEIM GMBH (DT) 1978-02-14 — — US disclosed
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