SCHEMBL6513706

SCHEMBL6513706

O=C(NCc1ccc(OCc2ccccc2F)c(F)c1)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.59
HTR2C P28335 9/20 0.57
HTR2B P41595 6/20 0.57
KDM4E B2RXH2 1/20 0.56
HTR2A P28223 4/20 0.51
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 1/20 0.48
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL6510966 0.92 HTR2C (0.54) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6514406 0.92 HTR2C (0.54) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6511004 0.91 KDM4E (0.68) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL20510494 0.84 HTR2C (0.71) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6507699 0.80 KMT2A (0.57) GID4HTR2CHTR2BKDM4EHTR2A
Trifluoroacetic Acid SCHEMBL20510471 0.80 HTR2C (0.65) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6511884 0.79 HTR2C (0.57) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6511728 0.79 HTR2C (0.57) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL20510457 0.77 HTR2C (0.69) GID4HTR2CHTR2BKDM4EHTR2A
SCHEMBL6510397 0.77 HTR2C (0.58) GID4HTR2CHTR2BKDM4EHTR2A

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