SCHEMBL7279730

SCHEMBL7279730

CCCCc1ccc(NC(=O)CN2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.57
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ REV1 Q9UBZ9 2/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL7544924 0.88 SMN1; SMN2 (0.49) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7429214 0.85 MEN1 (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7536797 0.83 SMN1; SMN2 (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7289666 0.83 ALDH1A1 (0.54) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL7278718 0.82 ALDH1A1 (0.62) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL7536722 0.82 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7538944 0.82 SMN1; SMN2 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7292491 0.81 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7282287 0.81 NPC1 (0.58) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL7282067 0.81 CHRM5 (0.51) MEN1KMT2ANPC1RAB9AHPGD

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 — — US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 — — US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 — — EP disclosed
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