Trantelinium

Trantelinium

SCHEMBL29385462

C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1c3ccccc3Oc3ccccc31)C2

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
CHRM2 P08172 5/20 0.50
CHRM1 P11229 4/20 0.50
PABPC1 P11940 3/20 0.50
CHRM3 P20309 3/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49
CHRND Q07001 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL5532368 0.74 CHRM1 (0.59) CHRM2CHRM1CHRM3CYP2D6TSHR
SCHEMBL4184283 0.71 CHRM3 (0.55) CHRM2CHRM1CHRM3CYP2D6MEN1
Bromide SCHEMBL5536837 0.71 CHRM3 (0.63) CHRM2CHRM1CHRM3LMNAATM
Bromide SCHEMBL5537870 0.71 CHRM3 (0.63) CHRM2CHRM1CHRM3LMNAATM
Bromide SCHEMBL5532410 0.71 CHRM3 (0.63) CHRM2CHRM1CHRM3LMNAATM
SCHEMBL2596509 0.71 HDAC3 (0.61) CHRM2CHRM1USP2TP53CYP3A4
SCHEMBL12463709 0.70 CHRM3 (0.54) CHRM2CHRM1CHRM3USP2MEN1
SCHEMBL10522120 0.69 CHRM2 (0.45) CHRM2CHRM1CHRM3USP2CYP3A4
Bromide SCHEMBL5546045 0.69 CHRM3 (0.65) CHRM2CHRM1CHRM3
SCHEMBL595243 0.68 ATM (0.69) CHRM2CHRM1USP2CYP3A4CYP2D6

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
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed