SCHEMBL18952425

SCHEMBL18952425

CC1(C(CC(N)=O)NC(Cc2ccccc2)C2=COCO2)COC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.30
F2RL1 P55085 1/20 0.30
PLAU P00749 1/20 0.30
PLAUR Q03405 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18952517 0.82 CTSS (0.30)
SCHEMBL3563505 0.73 MIF (0.43) DPP4PLAUPLAUR
SCHEMBL18952358 0.68 ACACB (0.30)
SCHEMBL2472950 0.68 EPHX1 (0.36) ALDH1A1PLAUPLAUR
SCHEMBL2466830 0.68 EPHX1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL4888830 0.67 EPHX1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL5073587 0.67 MIF (0.39) RAB9AMEN1KMT2A
SCHEMBL2344981 0.66 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6865246 0.66 NPC1 (0.31) RAB9A
SCHEMBL15547346 0.66 MTNR1A (0.43) ALDH1A1RAB9ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386951-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP disclosed
WO-2017097732-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed