SCHEMBL6511622

SCHEMBL6511622

O=C(NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1Cl)C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.57
S1PR5 Q9H228 4/20 0.57
PDGFRA P16234 2/20 0.57
PIM1 P11309 1/20 0.57
HTR2C P28335 4/20 0.55
HTR2B P41595 2/20 0.55
LMNA P02545 1/20 0.47
MAOB P27338 4/20 0.46
PRKX P51817 1/20 0.45
IKBKE Q14164 1/20 0.45
PRKD3 O94806 1/20 0.45
CDK7 P50613 1/20 0.45
JAK3 P52333 1/20 0.45
TNK2 Q07912 1/20 0.45
NR4A2 P43354 2/20 0.45
GID4 Q8IVV7 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 2/20 0.44

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
SCHEMBL6510804 1.00 S1PR1 (0.57) S1PR1S1PR5PDGFRAPIM1HTR2C
SCHEMBL6509995 0.88 HTR2C (0.60) S1PR1S1PR5HTR2CHTR2BMAOB
SCHEMBL6508988 0.87 HTR2C (0.73) S1PR1S1PR5PDGFRAHTR2CHTR2B
SCHEMBL6511035 0.87 HTR2C (0.73) S1PR1S1PR5PDGFRAHTR2CHTR2B
SCHEMBL15833076 0.87 HTR2C (0.61) HTR2CHTR2BMAOBNR4A2MAPT
SCHEMBL7314615 0.81 HTR2C (0.60) HTR2CHTR2BLMNAGID4
SCHEMBL6511003 0.80 HTR2C (0.73) S1PR1S1PR5PDGFRAHTR2CHTR2B
SCHEMBL15832942 0.80 HTR2C (0.67) HTR2CHTR2BMAOBGID4HDAC3
SCHEMBL6510792 0.77 HTR2C (0.64) HTR2CHTR2BMAOBNR4A2GID4
SCHEMBL6511220 0.77 HTR2C (0.64) HTR2CHTR2BMAOBNR4A2GID4

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
WO-2005040108-A1 PROLINAMIDE DERIVATIVES AS SODIUM AND/OR CALCIUM CHANNEL BLOCKERS OR SELECTIVE MAO-B INHIBITORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO claimed
WO-2005040108-A1 PROLINAMIDE DERIVATIVES AS SODIUM AND/OR CALCIUM CHANNEL BLOCKERS OR SELECTIVE MAO-B INHIBITORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed