SCHEMBL9936717

SCHEMBL9936717

CCCOc1cc(C)c(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL1459785 0.85 GABRA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1458970 0.84 PIK3CA (0.38) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL16783037 0.81 HTR7 (0.47) MAPT
SCHEMBL24455989 0.80 L3MBTL1 (0.38) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24456331 0.80 L3MBTL1 (0.38) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24456371 0.80 L3MBTL1 (0.38) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15464880 0.80 MKNK1 (0.33) SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL24456633 0.80 L3MBTL1 (0.38) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24456521 0.80 L3MBTL1 (0.38) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2024485 0.78 VDR (0.35) NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948442-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
WO-2014114578-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 WO disclosed
EP-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed