SCHEMBL30173674

SCHEMBL30173674

CCC(O)Oc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SCN4A P35499 9/20 0.41
CYP2D6 P10635 3/20 0.41
LMNA P02545 3/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C9 P11712 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
GBA1 P04062 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
SCN7A Q01118 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
SCHEMBL13594743 0.78 ADRA2A (0.46) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL516178 0.78 CYP1A2 (0.49) TSHRSCN4ACYP2D6LMNACYP1A2
SCHEMBL515979 0.76 SCN4A (0.45) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL11747363 0.75 SCN4A (0.41) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL6272675 0.75 SCN4A (0.50) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL10604452 0.73 CYP3A4 (0.41) TSHRCYP2D6LMNACYP1A2CYP3A4
SCHEMBL3402150 0.73 SCN4A (0.46) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL3400237 0.73 SCN4A (0.45) TSHRSCN4ACYP2D6LMNASCN1A
SCHEMBL8935675 0.73 SMN1; SMN2 (0.58) KMT2AHPGDSMN1; SMN2L3MBTL1CXCR5
SCHEMBL8935678 0.73 SMN1; SMN2 (0.58) KMT2AHPGDSMN1; SMN2L3MBTL1CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118953-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2024-12-13 CN disclosed
CN-115279731-B Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2024-09-13 CN disclosed
CN-115279731-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-11-01 CN disclosed