SCHEMBL4319928

SCHEMBL4319928

CN1Cc2ccccc2C(C(O)C2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 14/20 0.46
▸ SLC6A4 P31645 14/20 0.46
▸ SLC6A3 Q01959 14/20 0.46
▸ CHRM3 P20309 4/20 0.42
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4326074 0.80 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4463813 0.78 KDM4E (0.39) SLC6A2SLC6A4SLC6A3CHRM3SMN1; SMN2
SCHEMBL15131035 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL19010138 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL19010135 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL4470164 0.75 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL4328470 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL4321716 0.70 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL10957858 0.69 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL4565016 0.69 SLC6A3 (0.49) SLC6A2SLC6A4SLC6A3OPRM1OPRK1

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
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO claimed
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
Send feedback