SCHEMBL6805899

SCHEMBL6805899

O=C(Nc1cccc2cccnc12)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.56
HTR2C P28335 7/20 0.56
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KDR P35968 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6713824 0.94 HTR2A (0.54) HTR2AHTR2CMAPTSMN1; SMN2KDM4E
SCHEMBL6713671 0.87 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2KDM4EMEN1
SCHEMBL6714033 0.82 HTR2A (0.62) HTR2AHTR2CMAPTSMN1; SMN2KDM4E
SCHEMBL6713950 0.81 HTR2A (0.60) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL6715593 0.81 HTR2A (0.60) HTR2AHTR2CMAPTSMN1; SMN2MEN1
SCHEMBL6713947 0.80 HTR2A (0.61) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL6711473 0.79 HTR2A (0.64) HTR2AHTR2CPOLB
SCHEMBL6718474 0.79 HTR2A (0.58) HTR2AHTR2CMAPTSMN1; SMN2RAB9A
SCHEMBL6718705 0.79 HTR2C (0.58) HTR2AHTR2CMAPTKDM4EMEN1
SCHEMBL6712404 0.79 HTR2C (0.60) HTR2AHTR2CKDM4EKMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed