SCHEMBL24229986

SCHEMBL24229986

COC(=O)CCC1(CN)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
BLM P54132 1/20 0.48
CACNA2D1 P54289 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
EPHX2 P34913 3/20 0.36
KMT2A Q03164 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PRMT3 O60678 1/20 0.34
CA12 O43570 1/20 0.33

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
Hydrochloric Acid SCHEMBL25217893 0.98 LMNA (0.48) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL15539095 0.86 TSHR (0.52) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL25558049 0.84 LMNA (0.42) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL14563343 0.83 TSHR (0.44) TSHRLMNAUSP2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL25216460 0.83 LMNA (0.44) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL1643330 0.81 TSHR (0.62) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL466314 0.81 TSHR (0.62) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL3447711 0.79 TSHR (0.44) TSHRLMNAUSP2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3648260 0.79 TSHR (0.60) TSHRLMNAUSP2ALDH1A1CYP1A2
SCHEMBL25558036 0.79 TSHR (0.40) TSHRLMNAKDM4EEPHX2KMT2A

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-4190770-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF Vivozon, Inc. (KR) 2023-06-07 EP disclosed
WO-2022025636-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF 주식회사 비보존 2022-02-03 WO disclosed