Carbetapentane

Carbetapentane

SCHEMBL7614465

CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SIGMAR1

The experimentally established mechanism targets of Carbetapentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 2/20 0.84
CHRM2 P08172 6/20 0.84
ALDH1A1 P00352 5/20 0.84
CHRM1 P11229 5/20 0.84
LMNA P02545 3/20 0.84
CYP1A2 P05177 3/20 0.84
CYP3A4 P08684 3/20 0.84
CYP2D6 P10635 3/20 0.84
TSHR P16473 3/20 0.84
PRCP P42785 2/20 0.84
KDM4E B2RXH2 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
SLC22A1 O15245 1/20 0.84
THRB P10828 1/20 0.84
HTT P42858 1/20 0.84
TMEM97 Q5BJF2 1/20 0.84
POLB P06746 1/20 0.74
NFKB1 P19838 1/20 0.69
PMP22 Q01453 1/20 0.69
HIF1A Q16665 1/20 0.69

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
Caramiphen SCHEMBL1375563 0.95 PRCP (0.84) CHRM2ALDH1A1CHRM1LMNACYP1A2
Caramiphen SCHEMBL158932 0.95 PRCP (0.84) CHRM2ALDH1A1CHRM1LMNACYP1A2
Carbetapentane SCHEMBL67879 0.92 CHRM2 (1.00) CHRM2ALDH1A1CHRM1LMNACYP1A2
Carbetapentane SCHEMBL15516338 0.92 CHRM2 (1.00) CHRM2ALDH1A1CHRM1LMNACYP1A2
Carbetapentane SCHEMBL5174918 0.90 CHRM2 (0.98) CHRM2ALDH1A1CHRM1LMNACYP1A2
Carbetapentane SCHEMBL15512243 0.89 CHRM2 (0.95) CHRM2ALDH1A1CHRM1LMNACYP1A2
Caramiphen SCHEMBL181285 0.87 PRCP (1.00) CHRM2ALDH1A1CHRM1LMNACYP1A2
Caramiphen SCHEMBL1374820 0.86 ALDH1A1 (1.00) CHRM2ALDH1A1CHRM1LMNACYP1A2
Caramiphen SCHEMBL10898559 0.86 PRCP (0.97) CHRM2ALDH1A1CHRM1LMNACYP1A2
Hydrochloric Acid SCHEMBL7383119 0.85 ALDH1A1 (0.97) CHRM2ALDH1A1CHRM1LMNACYP1A2

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-1235561-A2 FAST DISSOLVING COMPOSITION WITH PROLONGED SWEET TASTE Panacea Biotec Limited (IN) 2002-09-04 EP disclosed
WO-2001039749-A2 FAST DISSOLVING COMPOSITION WITH PROLONGED SWEET TASTE PANACEA BIOTEC LIMITED (IN) 2001-06-07 WO disclosed