SCHEMBL25378719

SCHEMBL25378719

CCOc1ncc(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.42
▸ EPHX2 P34913 7/20 0.41
▸ MAPT P10636 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 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
SCHEMBL25378407 0.86 TRPV1 (0.43) TRPV1EPHX2ABL1BCR
SCHEMBL30482517 0.86 TRPV1 (0.43) TRPV1EPHX2ABL1BCR
SCHEMBL30482518 0.81 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL25377441 0.81 EPHX2 (0.47) TRPV1EPHX2
SCHEMBL30482543 0.81 EPHX2 (0.47) TRPV1EPHX2
SCHEMBL25377909 0.81 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL25378159 0.78 TRPV1 (0.43) TRPV1EPHX2
SCHEMBL25377798 0.78 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL25377456 0.78 MAPT (0.40) MAPT
SCHEMBL25378382 0.76 KCNQ3 (0.47) TRPV1EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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