SCHEMBL24045646

SCHEMBL24045646

Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.42
CCR5 P51681 5/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
RAB9A P51151 1/20 0.40
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
KMT2A Q03164 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PREP P48147 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 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
SCHEMBL30103461 1.00 GPBAR1 (0.42) GPBAR1CCR5TRPC3TRPC6RAB9A
SCHEMBL22043704 1.00 GPBAR1 (0.42) GPBAR1CCR5TRPC3TRPC6RAB9A
SCHEMBL17805416 0.99 GPBAR1 (0.41) GPBAR1CCR5TRPC3TRPC6RAB9A
SCHEMBL24016955 0.99 RAB9A (0.41) GPBAR1CCR5TRPC3TRPC6RAB9A
SCHEMBL18532583 0.86 GPBAR1 (0.49) GPBAR1TRPC3TRPC6PRMT5WDR77
SCHEMBL17805431 0.86 GPBAR1 (0.49) GPBAR1TRPC3TRPC6PRMT5WDR77
SCHEMBL26006171 0.85 PREP (0.46) GPBAR1PRMT5WDR77CCNCCDK8
SCHEMBL17805452 0.84 GPBAR1 (0.40) GPBAR1PRMT5WDR77PREP
SCHEMBL2586526 0.83 CCR5 (0.40) CCR5KMT2APREPLMNAMAPT
SCHEMBL18532541 0.83 CCR5 (0.40) CCR5KMT2APREPLMNAMAPT

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
EP-3439658-B1 SOLUBLE C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-24 EP disclosed