SCHEMBL29313174

SCHEMBL29313174

CC(C)(C)OC(=O)N1CCN(C(O)NC(=O)c2ccco2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL9048604 0.79 KMT2A (0.63) ALDH1A1TP53KMT2ATHRB
SCHEMBL18530003 0.79 PADI1 (0.54) ALDH1A1MAPTCYP2D6CYP2C9CYP2C19
SCHEMBL18530001 0.79 PADI1 (0.54) ALDH1A1MAPTCYP2D6CYP2C9CYP2C19
SCHEMBL18529976 0.77 PADI1 (0.68) MAPTCYP2D6CYP2C9CYP2C19MEN1
SCHEMBL18529974 0.77 PADI1 (0.68) MAPTCYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13556486 0.77 KMT2A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13326733 0.77 KMT2A (0.60) NPC1ALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL758139 0.75 GPR119 (0.43) NPC1RAB9AATMALDH1A1MAPT
SCHEMBL18546885 0.75 CTSL (0.46) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL18529998 0.75 CTSL (0.46) ALDH1A1TP53SMN1; SMN2MEN1KMT2A

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-4400494-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS Neuroventi Inc. (KR) 2024-07-17 EP disclosed