SCHEMBL9384706

SCHEMBL9384706

CC(C)CCOc1ccn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 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
GABRQ Q9UN88 1/20 0.38
KDM1A O60341 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL17662643 0.81 JMJD6 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23862586 0.79 KDM1A (0.42) KDM1ACYP19A1JMJD6HCRTR2
SCHEMBL18222497 0.78 CYP19A1 (0.44) KDM1ACYP19A1JMJD6SMN1; SMN2HTT
SCHEMBL23345448 0.76 CYP19A1 (0.39) KDM1ACYP19A1JMJD6
SCHEMBL2629335 0.75
SCHEMBL21468656 0.72 KDM1A (0.38) KDM1ACYP19A1JMJD6EPHX2SMN1; SMN2
SCHEMBL24792887 0.72 EPHX2 (0.42) CYP19A1JMJD6EPHX2
SCHEMBL26392658 0.71 KDM1A (0.36) KDM1ACYP19A1JMJD6SMN1; SMN2HTT
SCHEMBL4613310 0.71 KMT2A (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23345429 0.70 KDM1A (0.37) KDM1ACYP19A1JMJD6SMN1; SMN2HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP claimed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP claimed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed