SCHEMBL6507511

SCHEMBL6507511

O=C(NCc1ccc(OCc2cccc(Cl)c2)cc1)[C@@H]1CCCN1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.77
HTR2B P41595 3/20 0.77
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 1/20 0.58
GID4 Q8IVV7 1/20 0.56
KDM4E B2RXH2 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6510388 0.97 HTR2C (0.72) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6510792 0.92 HTR2C (0.64) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6511220 0.92 HTR2C (0.64) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6509995 0.88 HTR2C (0.60) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL30604550 0.88 HTR2C (0.81) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6510239 0.88 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6508031 0.88 HTR2C (0.77) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6510385 0.88 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL30001608 0.87 HTR2C (0.80) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL6511003 0.87 HTR2C (0.73) HTR2CHTR2BHDAC3HDAC1HDAC2

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