SCHEMBL6810499

SCHEMBL6810499

Cc1cc(NC(=O)C(=O)c2c3n(c4ccccc24)CCNCC3)sn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.57
HTR2A P28223 9/20 0.57
RIPK1 Q13546 1/20 0.37
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
HTR2B P41595 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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 SCHEMBL6714378 0.94 HTR2C (0.55) HTR2CHTR2ARIPK1MEN1NPC1
SCHEMBL6713675 0.81 HTR2A (0.62) HTR2CHTR2AMEN1NPC1TP53
SCHEMBL6711017 0.81 HTR2C (0.57) HTR2CHTR2AMEN1PKMKMT2A
SCHEMBL6712249 0.81 HTR2A (0.57) HTR2CHTR2ANPC1LMNATP53
SCHEMBL6715306 0.81 HTR2A (0.61) HTR2CHTR2AMEN1LMNAMAPT
SCHEMBL6713879 0.80 HTR2A (0.64) HTR2CHTR2AMEN1NPC1MAPT
SCHEMBL6712815 0.80 HTR2A (0.64) HTR2CHTR2AMEN1NPC1LMNA
SCHEMBL6714604 0.80 HTR2A (0.58) HTR2CHTR2AMEN1NPC1LMNA
SCHEMBL6714643 0.80 HTR2A (0.60) HTR2CHTR2AMEN1NPC1RAB9A
SCHEMBL6715343 0.80 HTR2A (0.69) HTR2CHTR2AMEN1NPC1CYP1A2

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