SCHEMBL3369282

SCHEMBL3369282

CCc1ccc(C(=O)N(C[C@@H]2CNC[C@H]2CN(C(=O)[C@@H]2CCOC2)C2CC2)C(C)C)cc1OCCCOC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.59
CYP3A4 P08684 1/20 0.54
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR2A P28223 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54

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
SCHEMBL8252553 1.00 REN (0.59) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3372663 1.00 REN (0.59) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL13104830 0.96 REN (0.55) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3375497 0.96 REN (0.55) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3374392 0.96 REN (0.55) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL8258945 0.95 REN (0.63) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3372829 0.92 REN (0.70) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3371560 0.89 REN (0.56) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3370770 0.89 REN (0.56) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3370767 0.89 REN (0.56) RENHTR1AADRA1DHTR2AADRA1A

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-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP claimed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO claimed