SCHEMBL20633013

SCHEMBL20633013

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2F)CCCN3C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA9 Q16790 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34

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
SCHEMBL19670295 0.90 HTR2C (0.39) HTR2CHTR2ATRPV1CA9HTR2B
SCHEMBL19365693 0.86 TRPV1 (0.34) TRPV1PRMT3ROCK2
SCHEMBL16776157 0.84 ROCK2 (0.36) TRPV1PRMT3ROCK2CA9
SCHEMBL20632930 0.84 KMT2A (0.45) HTR2CHTR2AGAALMNANPSR1
SCHEMBL20633030 0.83 HTR2C (0.41) HTR2CHTR2ALMNANPSR1CA9
SCHEMBL17655361 0.81 ROCK2 (0.36) HTR2CHTR2ATRPV1PRMT3ROCK2
SCHEMBL20632604 0.80 FGFR4 (0.45) GAALMNANPSR1CA9KMO
SCHEMBL20631471 0.79 BCL6 (0.33) —
SCHEMBL20632940 0.79 TEK (0.33) ROCK2
SCHEMBL19365347 0.78 BTK (0.36) TRPV1ROCK2

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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