SCHEMBL27729342

SCHEMBL27729342

[CH]1NCCN1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2B P41595 2/20 0.31

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
SCHEMBL2122765 0.77
SCHEMBL16338744 0.76 HTR6 (0.36)
SCHEMBL1400976 0.71 HTR2C (0.36) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL27895099 0.67 HTR2C (0.33) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL2265420 0.67 HTR2C (0.33) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL6497810 0.67 MEN1 (0.32) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL352142 0.65 HTR2C (0.33) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL3138747 0.65 MEN1 (0.34) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL5969664 0.64 HTR2C (0.32) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL3159987 0.64 HTR6 (0.41) HTR2CHTR2AMEN1ALDH1A1MAPT

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
CN-101208303-A CGRP receptor antagonists MERCK & CO INC (US) 2008-06-25 CN disclosed