SCHEMBL22249028

SCHEMBL22249028

CC(C)(N)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(CCN4CC5CC(N)(C5)C4)c(C(F)(F)F)c3)c(=O)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
MAOB P27338 1/20 0.31
ADORA1 P30542 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
SCHEMBL22249021 0.92 HTR2A (0.31)
SCHEMBL22249022 0.91
SCHEMBL22248477 0.88 TRPV1 (0.32) TRPV1MAOBADORA1
Hydrochloric Acid SCHEMBL30276479 0.87 TRPV1 (0.31) TRPV1
SCHEMBL22248224 0.87
SCHEMBL22248480 0.87 TRPV1 (0.32) TRPV1MAOBADORA1
Hydrochloric Acid SCHEMBL22235802 0.86 TRPV1 (0.32) TRPV1MAOBADORA1
Hydrochloric Acid SCHEMBL30276596 0.86 TRPV1 (0.32) TRPV1MAOBADORA1
SCHEMBL22249025 0.85 TRPV1 (0.32) TRPV1MAOBADORA1
Hydrochloric Acid SCHEMBL30276446 0.85 TRPV1 (0.32) TRPV1MAOBADORA1

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed