SCHEMBL2575269

SCHEMBL2575269

O=C1CC2CNCC(F)N2c2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
GAA P10253 2/20 0.41
BRD4 O60885 4/20 0.39
CREBBP Q92793 3/20 0.39
EP300 Q09472 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 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
SCHEMBL2572351 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BGAABRD4
SCHEMBL2575403 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BGAABRD4
SCHEMBL2562703 0.75 MEN1 (0.40) HTR2AHTR2CHTR2BGAABRD4
SCHEMBL2014604 0.74 HTR2C (0.51) HTR2AHTR2CHTR2BGAAOPRM1
SCHEMBL693673 0.74 HTR2C (0.51) HTR2AHTR2CHTR2BGAAOPRM1
SCHEMBL18686003 0.73 GAA (0.40) GAABRD4CREBBPEP300OPRM1
SCHEMBL18686018 0.73 ALDH1A1 (0.53) GAABRD4CREBBPRAB9AALDH1A1
SCHEMBL18686001 0.72 EPHX2 (0.42) GAABRD4CREBBPEP300OPRM1
SCHEMBL17748861 0.68 GAA (0.64) HTR2AHTR2CGAABRD4CREBBP
SCHEMBL15389746 0.65 HTT (0.42) GAABRD4CREBBPRAB9AALDH1A1

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-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed