SCHEMBL11233159

SCHEMBL11233159

Cc1ccc(O[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GPR183 P32249 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
HTR2C P28335 2/20 0.43
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PDE4B Q07343 2/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL11233168 1.00 POLB (0.48) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11231965 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11235679 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11238711 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11235673 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11238706 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11231957 0.91 SMN1; SMN2 (0.49) POLBSMN1; SMN2NPC1RAB9AGPR183
SCHEMBL11243290 0.87 F2RL3 (0.48) POLBSMN1; SMN2NPC1RAB9AF2RL3
SCHEMBL11243294 0.87 F2RL3 (0.48) POLBSMN1; SMN2NPC1RAB9AF2RL3
SCHEMBL11247678 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AF2RL3HTR2C

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