SCHEMBL11075243

SCHEMBL11075243

Cc1c(OC2CCN(C(=O)OCc3ccccc3)CC2)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PDE4B Q07343 2/20 0.52
GRIN2B Q13224 4/20 0.48
HTT P42858 1/20 0.47
CCR8 P51685 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43

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
SCHEMBL971318 0.76 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL15865383 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL2333322 0.76 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL8419487 0.76 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL13716189 0.75 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL29132046 0.75 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL12660048 0.75 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL1641404 0.74 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL12425238 0.74 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13189973 0.74 PDE4B (0.52) SMN1; SMN2CYP2C19NPC1RAB9APDE4B

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
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed