SCHEMBL3656331

SCHEMBL3656331

CC1CCC[N+]1(c1ccc(N)c(C(F)(F)F)c1)C1CCNC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.32
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1E P28566 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL3655820 0.84 SLC6A2 (0.35)
SCHEMBL2472659 0.84
SCHEMBL2477635 0.84
SCHEMBL2475965 0.84
SCHEMBL3655250 0.84
SCHEMBL2478797 0.84
SCHEMBL2635212 0.80 PRKCZ (0.31)
SCHEMBL3655184 0.80 PRKCZ (0.31)
SCHEMBL2596377 0.77 HRH3 (0.36) HTR2AHTR2CHTR2BHTR1A
Trifluoroacetic Acid SCHEMBL3659677 0.75 HRH3 (0.32)

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-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed