SCHEMBL11824366

SCHEMBL11824366

CCc1cc2c(s1)N=C(NNC)CN=C2c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
PDE4D Q08499 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTAFR P25105 10/20 0.39
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA3 P34903 2/20 0.35
TSHR P16473 1/20 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
SCHEMBL11831630 0.88 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928409 0.88 OPRK1 (0.52) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL11829520 0.83 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL11870422 0.82 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL11831027 0.79 OPRK1 (0.46) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL7315271 0.78 PTAFR (0.41) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL11508083 0.73 PTAFR (0.36) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL11511588 0.72 PTAFR (0.38) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL11508751 0.72 PTAFR (0.34) OPRK1PDE4DPTAFRGABRA1GABRA5
Clotiazepam SCHEMBL44592 0.70 OPRK1 (0.63) OPRK1PDE4DMEN1KMT2APTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3965111-A TRIQUALIZER, SLEEP INDUCER, ANTIELEPTIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1976-06-22 US disclosed