SCHEMBL8933612

SCHEMBL8933612

CC1(c2ccc3c(c2)C(c2ccccc2)=NCC(N)=N3)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
MAPK1 P28482 2/20 0.34
PDE4D Q08499 2/20 0.34
CHRM1 P11229 2/20 0.34
CCKBR P32239 1/20 0.34
CNR1 P21554 1/20 0.34
NTSR1 P30989 1/20 0.34
OPRK1 P41145 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
SCHEMBL7310869 0.77 TSHR (0.35) TSHRSMN1; SMN2GAAMAPK1HPGD
SCHEMBL10470932 0.77 CHRM1 (0.51) LMNASMN1; SMN2MAPTGABRA1GABRG2
SCHEMBL7306590 0.77 PDE4D (0.61) TSHRLMNAGABRA1GABRG2GABRB3
SCHEMBL10471753 0.75 MAPT (0.38) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL10470314 0.75 HTT (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL10471515 0.75 GABRA1 (0.52) TSHRMAPTGABRA1GABRG2GABRB3
SCHEMBL7370183 0.75 OPRK1 (0.54) LMNAGAAGABRA1GABRG2GABRB3
SCHEMBL10471793 0.74 CHRM1 (0.54) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL11655306 0.74 PDE4A (0.49) SMN1; SMN2MAPTL3MBTL1MAPK1PDE4D
Hydrochloric Acid SCHEMBL11654812 0.74 OPRK1 (0.53) LMNAGAAGABRA1GABRG2GABRB3

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
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed