SCHEMBL20632111

SCHEMBL20632111

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(C2CCN(C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ MCHR1 Q99705 4/20 0.45
▸ GRIN2B Q13224 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL19365425 0.92 MCHR1 (0.45) MAPTMCHR1GRIN2BSMN1; SMN2MEN1
SCHEMBL19365420 0.90 MCHR1 (0.46) MAPTMCHR1GRIN2BSMN1; SMN2MEN1
SCHEMBL19365904 0.88 MAPT (0.43) MAPTMCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL19365254 0.84 HTR2C (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19365708 0.84 MAPT (0.41) MAPTMCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL19365568 0.84 RHOA (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL19670464 0.83 MAPT (0.40) MAPTMCHR1GRIN2BSMN1; SMN2MEN1
SCHEMBL19365595 0.82 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19670411 0.81 MAPT (0.41) MAPTSMN1; SMN2LMNAHTTNPC1
SCHEMBL19365368 0.81 TRPA1 (0.38) MAPTMCHR1MEN1KMT2AALDH1A1

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
Send feedback