SCHEMBL9736715

SCHEMBL9736715

CCOc1cccc(N2CCN(CCOc3cc(C)ccc3C(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB2 P07550 1/20 0.47
HTR1A P08908 2/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 4/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL9736707 0.92 HTR1A (0.57) ATMMEN1KMT2AADRB2HTR1A
Hydrochloric Acid SCHEMBL9736841 0.91 ATM (0.56) ATMMEN1KMT2AHTR1AALDH1A1
SCHEMBL9739717 0.88 ATM (0.62) ATMMEN1KMT2AADRB2HTR1A
Hydrochloric Acid SCHEMBL9736847 0.87 ATM (0.64) ATMMEN1KMT2AADRB2HTR1A
Hydrochloric Acid SCHEMBL9736860 0.87 ATM (0.64) ATMMEN1KMT2AADRB2HTR1A
SCHEMBL9738397 0.85 ABCB1 (0.54) ATMMEN1KMT2AHTR1AALDH1A1
Hydrochloric Acid SCHEMBL9736942 0.84 ATM (0.53) ATMMEN1KMT2AHTR1AALDH1A1
SCHEMBL9737244 0.83 DRD2 (0.54) ATMMEN1KMT2AADRB2HTR1A
SCHEMBL9737194 0.82 MEN1 (0.58) ATMMEN1KMT2AHTR1ADRD4
Hydrochloric Acid SCHEMBL9735824 0.82 DRD2 (0.55) ATMMEN1KMT2AADRB2HTR1A

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-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed