SCHEMBL13661133

SCHEMBL13661133

O=C(OCc1ccccc1)N1CCC(CCN2CCC(CCN3CCCCC3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ CYP2C19 P33261 1/20 0.57
▸ GRIN2B Q13224 9/20 0.56
▸ CYP2D6 P10635 4/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ CHRM4 P08173 2/20 0.54
▸ CYP3A4 P08684 3/20 0.53
▸ FAAH O00519 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 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
SCHEMBL13661465 0.99 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661130 0.96 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661172 0.96 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661153 0.95 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661470 0.89 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13660824 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661466 0.87 MEN1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661150 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661587 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL27007049 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 — — WO disclosed
Send feedback