SCHEMBL1126911

SCHEMBL1126911

CN(C)CCn1ccc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2A P28223 2/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTR1D P28221 2/20 0.38
HTR6 P50406 4/20 0.37
HTR7 P34969 3/20 0.37
DRD2 P14416 2/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 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
SCHEMBL1127046 0.82 CNR1 (0.46) ALDH1A1KDM4ELMNAMAPK1CNR2
SCHEMBL1126995 0.78 GFER (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL1127684 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2CYP1A2POLB
SCHEMBL15162305 0.76 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL1127023 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL1126958 0.74 ALDH1A1 (0.40) HTR2CHTR2AALDH1A1KDM4EHTR1D
SCHEMBL15162449 0.70 ALDH1A1 (0.42) HTR2AALDH1A1KDM4EHTR6HTR7
SCHEMBL30740984 0.70 HTR2C (0.45) HTR2CHTR2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1126989 0.69 ALDH1A1 (0.39) ALDH1A1CYP1A2CNR2
SCHEMBL1126731 0.67 MMP1 (0.41) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed