SCHEMBL21285889

SCHEMBL21285889

CNC[C@@H](C)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
TAAR1 Q96RJ0 2/20 0.55
LOXL2 Q9Y4K0 2/20 0.52
CYP2A6 P11509 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.38
CYP19A1 P11511 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
EP300 Q09472 3/20 0.37
AOC3 Q16853 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21286133 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4TAAR1
SCHEMBL29335774 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4TAAR1
SCHEMBL3944328 0.79 KDM4E (0.61) GRIA1GRIA2GRIA3GRIA4TAAR1
SCHEMBL8737419 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4LOXL2
SCHEMBL2758516 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4LOXL2
SCHEMBL26205757 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4LOXL2
SCHEMBL21274670 0.78 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL5877782 0.76 GRIA4 (0.91) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL21286252 0.76 TAAR1 (0.54) GRIA1GRIA2GRIA3GRIA4TAAR1
SCHEMBL31477148 0.76 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
WO-2021021893-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-02-04 WO disclosed
WO-2019161162-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-08-22 WO disclosed