SCHEMBL4454609

SCHEMBL4454609

CN1Cc2ccccc2C(C(C)(O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 19/20 0.53
▸ SLC6A4 P31645 19/20 0.53
▸ SLC6A3 Q01959 18/20 0.53
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 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
SCHEMBL4476207 0.93 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL4469390 0.86 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL17148642 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL4333714 0.82 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4473882 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4470550 0.75 KDM4E (0.41) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL10957858 0.72 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL12699778 0.70 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL4328470 0.70 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL19021474 0.70 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CHRM2CHRM1

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