SCHEMBL8477642

SCHEMBL8477642

CCS(=O)(=O)C(NC1CC(C)(C)Oc2ccc(F)cc21)C(=O)NCCCn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ATM Q13315 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
SCHEMBL8480649 0.81 TRPV1 (0.47) TRPV1CYP3A4ALDH1A1
SCHEMBL8476363 0.81 TRPV1 (0.47) TRPV1LMNACYP3A4ALDH1A1
SCHEMBL8476611 0.80 TRPV1 (0.49) TRPV1CYP3A4HTTALDH1A1
SCHEMBL8481963 0.79 TRPV1 (0.44) TRPV1CYP3A4HTTSMN1; SMN2ATM
Hydrochloric Acid SCHEMBL8481795 0.79 TRPV1 (0.46) TRPV1CYP3A4ALDH1A1
SCHEMBL8481888 0.79 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL8482576 0.78 TRPV1 (0.49) TRPV1CYP3A4
SCHEMBL7467409 0.78 L3MBTL1 (0.42) L3MBTL1POLBLMNAKCNH2ALOX15
SCHEMBL8480422 0.78 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL8476544 0.77 TRPV1 (0.44) TRPV1CYP3A4

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-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed