SCHEMBL9736707

SCHEMBL9736707

COc1cccc(N2CCN(CCOc3cc(C)ccc3C(C)C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.57
DRD2 P14416 3/20 0.55
KCNH2 Q12809 2/20 0.55
ATM Q13315 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR2A P28223 2/20 0.52
ABCB1 P08183 3/20 0.52
ADRB2 P07550 1/20 0.47

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 SCHEMBL9736841 0.99 ATM (0.56) HTR1ADRD2KCNH2ATMMEN1
SCHEMBL9736715 0.92 ATM (0.54) HTR1ADRD2KCNH2ATMMEN1
SCHEMBL9737244 0.89 DRD2 (0.54) HTR1ADRD2ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL9735824 0.88 DRD2 (0.55) HTR1ADRD2ATMMEN1KMT2A
SCHEMBL9739717 0.88 ATM (0.62) HTR1ADRD2KCNH2ATMMEN1
Hydrochloric Acid SCHEMBL9736847 0.87 ATM (0.64) HTR1ADRD2KCNH2ATMMEN1
Hydrochloric Acid SCHEMBL9736860 0.87 ATM (0.64) HTR1ADRD2KCNH2ATMMEN1
SCHEMBL9738397 0.85 ABCB1 (0.54) HTR1ADRD2ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL9736942 0.84 ATM (0.53) HTR1ADRD2ATMMEN1KMT2A
SCHEMBL9737269 0.82 HTR2A (0.64) HTR1ADRD2ATMMEN1KMT2A

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