SCHEMBL13234

SCHEMBL13234

CN1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.63
GABRB2 P47870 1/20 0.63
SLC2A2 P11168 1/20 0.60
KCNK3 O14649 11/20 0.60
KCNK9 Q9NPC2 11/20 0.60
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL23624239 0.88 GABRA2 (0.81) GABRA2GABRB2SLC2A2
SCHEMBL30416749 0.87 GABRA2 (0.63) GABRA2GABRB2SLC2A2KCNK3KCNK9
SCHEMBL30417903 0.80 KCNK3 (0.58) GABRA2GABRB2SLC2A2KCNK3KCNK9
SCHEMBL8208 0.80 KDM4E (0.64) GABRB2SLC2A2KCNK3KCNK9KDM4E
SCHEMBL7231287 0.79 KCNK3 (0.65) KCNK3KCNK9KDM4E
SCHEMBL22364213 0.78 KCNK3 (0.76) KCNK3KCNK9KDM4E
SCHEMBL23624075 0.78 GABRB2 (0.63) GABRA2GABRB2SLC2A2KCNK3KCNK9
SCHEMBL6669200 0.77 SLC2A2 (0.62) SLC2A2KCNK3KCNK9KDM4ERAB9A
SCHEMBL1430614 0.76 SLC2A2 (0.77) GABRB2SLC2A2KCNK3KCNK9KDM4E
SCHEMBL1431027 0.76 KDM4E (0.59) GABRB2KCNK3KCNK9KDM4ENPC1

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
US-4460592-A HYPNOTIC SYNTHELABO 1984-07-17 US disclosed
US-4382938-A HYPNOSIS; TENSION; ANTICONVULSANTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1983-05-10 US disclosed