SCHEMBL30173256

SCHEMBL30173256

O=C(O)C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.85
SERPINE1 P05121 4/20 0.66
POLB P06746 1/20 0.64
IDH2 P48735 1/20 0.59
TRPV1 Q8NER1 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR1D P28221 1/20 0.56
HTR2C P28335 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL4334462 1.00 NOTUM (0.85) NOTUMSERPINE1POLBIDH2TRPV1
SCHEMBL25170450 0.92 NOTUM (1.00) NOTUMSERPINE1POLB
SCHEMBL29957216 0.92 NOTUM (1.00) NOTUMSERPINE1POLB
SCHEMBL5801322 0.87 NOTUM (0.70) NOTUMSERPINE1POLBTRPV1LMNA
SCHEMBL31381163 0.87 NOTUM (0.70) NOTUMSERPINE1POLBTRPV1LMNA
SCHEMBL7140165 0.87 NOTUM (0.66) NOTUMSERPINE1POLBIDH2TRPV1
Hydrochloric Acid SCHEMBL34469418 0.86 NOTUM (0.68) NOTUMSERPINE1POLBTRPV1LMNA
SCHEMBL6498968 0.85 NOTUM (0.62) NOTUMSERPINE1POLBIDH2
SCHEMBL7087663 0.84 SERPINE1 (0.89) NOTUMSERPINE1POLBLMNAHTT
SCHEMBL3099667 0.84 POLB (0.81) NOTUMPOLBTRPV1LMNAHTT

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
CN-118453598-A Preventive or therapeutic agent for photodermatosis 田边三菱制药株式会社 2024-08-09 CN disclosed
CN-115942934-A Preventive or therapeutic agent for porphyria 田边三菱制药株式会社 2023-04-07 CN disclosed
CN-115768428-A Prophylactic or therapeutic agent for photodermatosis 田边三菱制药株式会社 2023-03-07 CN disclosed