SCHEMBL19365904

SCHEMBL19365904

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TRPV1 Q8NER1 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ CCKBR P32239 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ FYN P06241 1/20 0.39

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
SCHEMBL19365254 0.91 HTR2C (0.47) MAPTTRPV1FAAHMEN1KMT2A
SCHEMBL19365708 0.91 MAPT (0.41) MAPTTRPV1CA2CA9MEN1
SCHEMBL19365568 0.89 RHOA (0.50) MAPTLMNAHTTMEN1ALDH1A1
SCHEMBL19365595 0.89 MAPT (0.38) MAPTLMNAHTTTRPV1CA2
SCHEMBL19670464 0.88 MAPT (0.40) MAPTLMNAHTTTRPV1CA2
SCHEMBL20632111 0.88 MAPT (0.46) MAPTLMNAHTTCA2CA9
SCHEMBL19365360 0.88 CA2 (0.38) MAPTLMNAHTTCA2CA9
SCHEMBL19365368 0.87 TRPA1 (0.38) MAPTCA2CA9MEN1ALDH1A1
SCHEMBL19365468 0.87 CA2 (0.39) MAPTLMNAHTTTRPV1CA2
SCHEMBL19365596 0.87 ADORA2A (0.39) MAPTLMNACA2CA9MEN1

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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