SCHEMBL10508147

SCHEMBL10508147

Cc1ccc(C2=NC3(CCNCC3)C(=O)N(C)c3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
RAB9A P51151 3/20 0.40
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38

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
SCHEMBL652591 0.92 CCKBR (0.50) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10507702 0.79 OPRK1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17969884 0.78 CCKBR (0.51) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10511185 0.77 OPRD1 (0.40) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10738300 0.77 GABRA1 (0.59) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10510429 0.76 LMNA (0.59) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL16104663 0.72 HTR1A (0.36) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL10736395 0.71 OPRK1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10507732 0.70 LMNA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10510402 0.69 LMNA (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0172526-B1 BENZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Troponwerke GmbH & Co. KG (DE) 1989-10-04 EP disclosed
US-4647560-A COGNITION ACTIVATORS TROPONWERKE GMBH & CO. KG (DE) 1987-03-03 US disclosed