SCHEMBL25243252

SCHEMBL25243252

O=C(C1CCOCC1)N1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR183 P32249 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
CNR2 P34972 2/20 0.43
PKM P14618 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
EPHX2 P34913 1/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL25290995 0.89 NAMPT (0.44) GPR183KCNH2CNR2EPHX2NAMPT
SCHEMBL25245952 0.89 GPR183 (0.42) TSHRSMN1; SMN2GPR183KCNH2ALDH1A1
SCHEMBL1276137 0.86 HPGD (0.60) TSHRALDH1A1HPGDHTTCHRNB2
SCHEMBL8318040 0.85 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL4696278 0.82 ALDH1A1 (0.68) TSHRSMN1; SMN2ALDH1A1HPGDCNR2
SCHEMBL18415359 0.82 HPGD (0.68) TSHRSMN1; SMN2GPR183KCNH2ALDH1A1
SCHEMBL28468465 0.82 ALDH1A1 (0.61) TSHRSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL25246854 0.80 TSHR (0.39) TSHRSMN1; SMN2GPR183ALDH1A1HPGD
SCHEMBL1911828 0.80 HPGD (0.72) TSHRSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL25285927 0.80 GPR183 (0.42) TSHRSMN1; SMN2GPR183KCNH2ALDH1A1

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
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO claimed
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed