SCHEMBL875259

SCHEMBL875259

O=C(Cl)C1CCN(CC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 3/20 0.38
DRD2 P14416 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL874549 0.78 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1POLB
SCHEMBL21995339 0.76 ACHE (0.52) MEN1KMT2AALDH1A1HTR2A
SCHEMBL28397007 0.76 HTR2A (0.47) TSHRHTR2A
SCHEMBL2040946 0.74 F2 (0.42) TSHRPOLB
SCHEMBL29575598 0.74 METAP1 (0.49) TSHRHTR2A
SCHEMBL1119003 0.74 METAP1 (0.49) TSHRHTR2A
SCHEMBL3290324 0.73 MEN1 (0.68) TSHRMEN1KMT2ADRD2ABL1
SCHEMBL3582634 0.73 CACNA1G (0.35) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL3816899 0.73 HTR2A (0.42) HTR2CHTR2A
Hydrochloric Acid SCHEMBL7828669 0.72 MEN1 (0.66) TSHRMEN1KMT2ADRD2ABL1

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
EP-2619208-A1 IMIDAZOTRIAZINONE COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2013-07-31 EP disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed