SCHEMBL6193262

SCHEMBL6193262

CCC(N)N1CCN(c2ccccc2OC(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.55
ADRA1D P25100 6/20 0.55
ADRA1B P35368 6/20 0.55
HTR1A P08908 1/20 0.46

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
SCHEMBL8957751 0.86 DRD2 (0.58) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL7690863 0.85 ADRA1A (0.57) ADRA1AADRA1DADRA1BHTR1A
Bromide SCHEMBL7683252 0.84 ADRA1A (0.56) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL5240356 0.81 ADRA1D (0.52) ADRA1AADRA1DADRA1B
SCHEMBL14621895 0.77 DRD2 (0.67) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL5821266 0.77 ADRA1A (0.49) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL7301761 0.77 ADRA1A (0.60) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL5498735 0.76 DRD2 (0.61) ADRA1AADRA1DADRA1BHTR1A
Ethylamine SCHEMBL7690866 0.76 HTR6 (0.59) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL30724862 0.76 DRD2 (0.61) ADRA1AADRA1DADRA1BHTR1A

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
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP disclosed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP disclosed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO disclosed