SCHEMBL11607624

SCHEMBL11607624

CCC1(CC)Oc2ccccc2[C@H](O)[C@H]1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL11607629 1.00 KCNE1 (0.40) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL11607634 1.00 KCNE1 (0.40) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL10644246 0.77 IDO1 (0.49) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL7253517 0.77 IDO1 (0.49) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL10644259 0.77 IDO1 (0.49) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL9765413 0.75 KCNE1 (0.47) KCNE1KCNQ1KMT2AMEN1
SCHEMBL10514021 0.72 KCNE1 (0.35) KCNE1KCNQ1MAOAMAOBKMT2A
SCHEMBL11931751 0.71 KMT2A (0.38) KCNE1KCNQ1MAOAMAOBKMT2A
SCHEMBL18192115 0.70 OPRD1 (0.36) KCNE1KCNQ1MAOAMAOBLTB4R
SCHEMBL18192116 0.70 OPRD1 (0.36) KCNE1KCNQ1MAOAMAOBLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 — — US disclosed
US-4105668-A 6-AMINO-2,2-DIMETHYL-3-(1 -SUBSTITUTED TETRAZOL-5-YL)PENAM COMPOUND REACTED WITH HYDROGEN FLUORIDE PFIZER INC. (US) 1978-08-08 — — US disclosed
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