SCHEMBL11243294

SCHEMBL11243294

Cc1cc(C)cc(O[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 2/20 0.42
PDE4B Q07343 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR1E P28566 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
SCHEMBL11243290 1.00 F2RL3 (0.48) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11247678 0.88 SMN1; SMN2 (0.51) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11247680 0.88 SMN1; SMN2 (0.51) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11233168 0.87 POLB (0.48) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11233159 0.87 POLB (0.48) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11243022 0.85 MMP9 (0.50) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11243025 0.85 MMP9 (0.50) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11246428 0.83 F2RL3 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11246433 0.83 F2RL3 (0.46) F2RL3SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11250718 0.82 SMN1; SMN2 (0.44) 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