SCHEMBL11246428

SCHEMBL11246428

Cc1ccccc1O[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2C P28335 1/20 0.43
PDE4B Q07343 2/20 0.42
HPGD P15428 1/20 0.42
MKNK2 Q9HBH9 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.41
CHRM4 P08173 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL11246433 1.00 F2RL3 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11275797 0.84 SMN1; SMN2 (0.44) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11275801 0.84 SMN1; SMN2 (0.44) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11247678 0.84 SMN1; SMN2 (0.51) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11247680 0.84 SMN1; SMN2 (0.51) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10837951 0.83 SMN1; SMN2 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10837962 0.83 SMN1; SMN2 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10837957 0.83 SMN1; SMN2 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11233159 0.83 POLB (0.48) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11233168 0.83 POLB (0.48) F2RL3SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed