SCHEMBL9760056

SCHEMBL9760056

Nc1ccc(OCC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GRIN2B Q13224 11/20 0.56
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP3A4 P08684 3/20 0.52
FAAH O00519 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47

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
SCHEMBL20207185 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13168269 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13450952 0.88 GRIN2B (0.71) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13439706 0.88 GRIN2B (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6593704 0.86 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL3554740 0.84 SIGMAR1 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13198831 0.84 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7035676 0.83 GRIN2B (0.58) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL9761065 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL458231 0.82 GRIN2B (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed