SCHEMBL6509968

SCHEMBL6509968

O=C(NCc1ccccc1OCc1cccc(Cl)c1)[C@@H]1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.57
HTR2B P41595 3/20 0.57
GID4 Q8IVV7 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
SLC1A5 Q15758 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL6510397 0.88 HTR2C (0.58) HTR2CHTR2BGID4KDM4EHDAC3
SCHEMBL6509995 0.85 HTR2C (0.60) HTR2CHTR2BGID4HDAC3HDAC1
SCHEMBL6511220 0.84 HTR2C (0.64) HTR2CHTR2BGID4KDM4EHDAC3
SCHEMBL6510792 0.84 HTR2C (0.64) HTR2CHTR2BGID4KDM4EHDAC3
SCHEMBL6507511 0.84 HTR2C (0.77) HTR2CHTR2BGID4KDM4EHDAC3
SCHEMBL7309411 0.83 HTR2C (0.67) HTR2CHTR2BGID4KDM4EHDAC1
SCHEMBL6510388 0.81 HTR2C (0.72) HTR2CHTR2BGID4HDAC3HDAC1
SCHEMBL21540800 0.78 TAAR1 (0.63) HTR2CHTR2BKDM4E
SCHEMBL18019717 0.76 PKM (0.57) HTR2CHTR2BGID4
SCHEMBL3856002 0.76 GID4 (0.54) HTR2CHTR2BGID4KDM4E

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