SCHEMBL11544167

SCHEMBL11544167

CN(C)[C@@H]1CCN(c2cccc(C(F)(F)F)c2)CC1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.48
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ CASR P41180 2/20 0.45
▸ ACACB O00763 2/20 0.45
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL20063904 0.85 NOTUM (0.57) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL21838591 0.82 NOTUM (0.57) NOTUMALDH1A1POLBMAPTACACB
SCHEMBL20095505 0.81 NOTUM (0.52) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL1410138 0.80 NOTUM (0.67) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL17754046 0.80 ALDH1A1 (0.59) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20063477 0.79 SCN9A (0.50) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20095964 0.78 NOTUM (0.54) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20096221 0.78 NOTUM (0.54) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL21904711 0.78 CASR (0.51) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20095504 0.78 NOTUM (0.49) NOTUMALDH1A1HTR3EHTR3BHTR1D

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
US-4146629-A ANTIDEPRESSANTS DELMAR CHEMICALS LIMITED (CA) 1979-03-27 — — US disclosed
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