SCHEMBL7399416

SCHEMBL7399416

O=C(OCc1ccccc1)N1CCC(n2cnnc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
GRIN2B Q13224 9/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
HTT P42858 1/20 0.53
CYP3A4 P08684 3/20 0.52
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
GPR119 Q8TDV5 1/20 0.48
FAAH O00519 1/20 0.48
ENPP2 Q13822 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
SCHEMBL15018080 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3898493 0.82 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14992459 0.82 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14529024 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL77639 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2896415 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31460273 0.80 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL24183442 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4947712 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4947705 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19

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
EP-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO disclosed