SCHEMBL20096221

SCHEMBL20096221

CN(C)C1CCCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ CASR P41180 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ PHGDH O43175 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTR7 P34969 1/20 0.46

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
SCHEMBL20095964 1.00 NOTUM (0.54) NOTUMPOLBALDH1A1CASRHTR3E
SCHEMBL17754046 0.83 ALDH1A1 (0.59) NOTUMPOLBALDH1A1HTR3EHTR3B
SCHEMBL9310553 0.81 IDH2 (0.59) NOTUMPOLBALDH1A1CASRHTR3E
SCHEMBL19314077 0.80 NOTUM (0.53) NOTUMPOLBALDH1A1CASRHTR3E
Hydrochloric Acid SCHEMBL9876646 0.80 IDH2 (0.58) NOTUMPOLBALDH1A1CASRHTR3E
SCHEMBL31058047 0.79 MCHR1 (0.48) NOTUMHTR1DHTR3AFPR1FPR2
SCHEMBL27613690 0.79 MCHR1 (0.48) NOTUMHTR1DHTR3AFPR1FPR2
Hydrochloric Acid SCHEMBL27858924 0.78 MCHR1 (0.47) NOTUMHTR1DHTR3AFPR1FPR2
SCHEMBL11544167 0.78 NOTUM (0.57) NOTUMPOLBALDH1A1CASRHTR3E
SCHEMBL20063904 0.78 NOTUM (0.57) NOTUMPOLBALDH1A1CASRHTR3E

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 — — WO disclosed
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