SCHEMBL11653579

SCHEMBL11653579

Cc1ccccc1OCC(O)CN1CCC(N2CCCNC2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.62
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.55
▸ SCN1A P35498 5/20 0.53
▸ SCN5A Q14524 5/20 0.53
▸ SCN9A Q15858 5/20 0.53
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ADRB2 P07550 3/20 0.47
▸ ADRB1 P08588 3/20 0.47
▸ ADRB3 P13945 3/20 0.47
▸ OPRL1 P41146 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
SCHEMBL11656717 0.94 LMNA (0.64) LMNANPY1RNPY2RKMT2AMEN1
SCHEMBL11657132 0.90 SCN5A (0.66) LMNANPY1RNPY2RKMT2AMEN1
SCHEMBL11659360 0.88 MEN1 (0.61) LMNANPY1RNPY2RKMT2AMEN1
SCHEMBL11662910 0.85 SCN1A (0.51) LMNANPY1RNPY2RSCN1ASCN5A
Fumaric Acid SCHEMBL11659983 0.84 SCN5A (0.59) LMNANPY1RNPY2RALDH1A1SCN1A
Fumaric Acid SCHEMBL11659976 0.84 SCN5A (0.59) LMNANPY1RNPY2RALDH1A1SCN1A
SCHEMBL11660135 0.84 SCN5A (0.68) LMNANPY1RNPY2RKMT2AMEN1
SCHEMBL11659602 0.82 SCN1A (0.56) LMNANPY1RNPY2RKMT2AMEN1
Fumaric Acid SCHEMBL11657542 0.82 MEN1 (0.53) KMT2AMEN1SCN1ASCN5ASCN9A
Fumaric Acid SCHEMBL11657550 0.82 MEN1 (0.53) KMT2AMEN1SCN1ASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US claimed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 — — US disclosed
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