SCHEMBL11386910

SCHEMBL11386910

O=C(OCc1ccccc1)N1CCC(N2CCN(CCOC3CCCCO3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ FKBP1A P62942 2/20 0.40
▸ TMEM97 Q5BJF2 3/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ HRH2 P25021 2/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ GRIN2B Q13224 3/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL578446 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2861159 0.79 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL11397700 0.78 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2148636 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2862814 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2863006 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21906706 0.76 MEN1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31315435 0.76 MEN1 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2855618 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17765057 0.75 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-4264599-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-28 — — US disclosed
EP-0000485-A1 Piperidino-propanols, their preparation and pharmaceutical compounds containing them CIBA-GEIGY AG (CH) 1979-02-07 — — EP disclosed
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