SCHEMBL9518762

SCHEMBL9518762

CCOCCn1c(CCN(C)C)nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.51
HRH1 P35367 2/20 0.51
CHRM1 P11229 1/20 0.51
KCNH2 Q12809 1/20 0.51
MYC P01106 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
Hydrochloric Acid SCHEMBL9247091 0.99 ALDH1A1 (0.68) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9518803 0.93 ALDH1A1 (0.74) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9520171 0.91 ALDH1A1 (0.72) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9520071 0.90 ALDH1A1 (0.71) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9519885 0.84 ALDH1A1 (0.72) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL5370477 0.84 TSHR (0.71) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9635893 0.83 ALDH1A1 (0.71) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL1520758 0.81 ALDH1A1 (0.76) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL7497251 0.81 MEN1 (0.68) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL7970535 0.81 TLR8 (0.59) SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP claimed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US claimed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 EP claimed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US disclosed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 EP disclosed