SCHEMBL9130426

SCHEMBL9130426

Cc1cncn1CC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDO2 P48775 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11151250 0.74 SIGMAR1 (0.40) IDO1
SCHEMBL11154742 0.73 HTR7 (0.41) IDO1ALDH1A1MEN1KMT2A
SCHEMBL10147161 0.71 CYP19A1 (0.42)
SCHEMBL6496747 0.70 CYP11B1 (0.63) IDO1
SCHEMBL11271642 0.70 CYP11B1 (0.52) IDO1LMNASMN1; SMN2
SCHEMBL10299417 0.68 TSHR (0.51) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL6989844 0.68 TSHR (0.48) IDO1ALDH1A1TSHR
SCHEMBL11518221 0.68 ALDH1A1 (0.52) ALDH1A1TSHRGAALMNAPKM
SCHEMBL6173273 0.67 CYP19A1 (0.71)
SCHEMBL7783933 0.67 TSHR (0.58) ALDH1A1TSHRLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed