SCHEMBL8101725

SCHEMBL8101725

CC(CNCCCc1ccccc1)c1ccc(O)cc1.COc1ccc(C(C)CNCCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ADRB2 P07550 3/20 0.59
ADRB3 P13945 2/20 0.59
ADRB1 P08588 1/20 0.59
SIGMAR1 Q99720 2/20 0.52
CALM1 P0DP23 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL9372958 0.94 KMT2A (0.67) MEN1KMT2AADRB2ADRB3ADRB1
SCHEMBL9378576 0.91 SIGMAR1 (0.56) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL4019779 0.86 MEN1 (0.78) MEN1KMT2AADRB2SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4015079 0.84 MEN1 (0.76) MEN1KMT2AADRB2ADRB3ADRB1
SCHEMBL8100061 0.83 MEN1 (0.53) MEN1KMT2ASIGMAR1BCHE
SCHEMBL8091786 0.81 SIGMAR1 (0.60) MEN1KMT2ASIGMAR1
SCHEMBL8092627 0.81 SIGMAR1 (0.60) MEN1KMT2ASIGMAR1SMN1; SMN2GAA
SCHEMBL9752913 0.78 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL8099094 0.78 SIGMAR1 (0.57) MEN1KMT2ASIGMAR1SMN1; SMN2BCHE
SCHEMBL8096269 0.78 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1

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-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US claimed