SCHEMBL30434319

SCHEMBL30434319

Cn1ncc2c([C@H]3CCON3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.36
▸ FAAH O00519 2/20 0.35
▸ CREBBP Q92793 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ CCR4 P51679 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ MPO P05164 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2 Q05397 1/20 0.31

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
SCHEMBL25347686 1.00 TRPV1 (0.36) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL25347693 1.00 TRPV1 (0.36) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL14839527 0.76 BCDIN3D (0.35) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL25323300 0.75 TRPV1 (0.36) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL25920776 0.75 TRPV1 (0.36) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL25323306 0.75 TRPV1 (0.36) TRPV1FAAHCREBBPBRD4ABL1
SCHEMBL14849720 0.72 TRPV1 (0.38) TRPV1FAAHABL1CCR4SYK
Hydrochloric Acid SCHEMBL30568001 0.71 TRPV1 (0.39) TRPV1CREBBPBRD4ABL1CCR4
Hydrochloric Acid SCHEMBL21385193 0.71 TRPV1 (0.39) TRPV1CREBBPBRD4ABL1CCR4
SCHEMBL22455760 0.70 KDM1A (0.43) FAAH

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
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 — — CN disclosed
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