SCHEMBL31455427

SCHEMBL31455427

COC(=O)C1CCN(C(=O)Nc2ccc(N)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
OPRM1 P35372 1/20 0.47
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PAK1 Q13153 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 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
SCHEMBL34472421 0.81 CPS1 (0.58) ALDH1A1TSHRGAASMN1; SMN2L3MBTL1
SCHEMBL17450444 0.80 MAPT (0.50) ALDH1A1OPRM1THRBHSD17B10SMN1; SMN2
SCHEMBL31455409 0.80 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRGAASMN1; SMN2
SCHEMBL31455256 0.79 ALDH1A1 (0.51) ALDH1A1THRBHSD17B10TSHRGAA
SCHEMBL31455017 0.77 ALDH1A1 (0.48) ALDH1A1OPRM1HSD17B10TSHRGAA
SCHEMBL28684205 0.77 ALDH1A1 (0.52) ALDH1A1OPRM1THRBHSD17B10SMN1; SMN2
SCHEMBL23783189 0.76 PTPN2 (0.58) NPC1RAB9APOLBKMT2A
SCHEMBL30207451 0.76 PTPN2 (0.58) NPC1RAB9APOLBKMT2A
SCHEMBL27178847 0.75 KMT2A (0.49) TSHRSMN1; SMN2HTTPOLBMEN1
SCHEMBL27178877 0.75 KMT2A (0.49) TSHRSMN1; SMN2HTTPOLBMEN1

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed