SCHEMBL9739717

SCHEMBL9739717

Cc1ccc(C(C)C)c(OCCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTR1A P08908 3/20 0.57
DRD3 P35462 3/20 0.52
DRD2 P14416 2/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
ADRB2 P07550 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
KCNH2 Q12809 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48

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 SCHEMBL9736860 0.99 ATM (0.64) ATMMEN1KMT2AHTR1ADRD3
Hydrochloric Acid SCHEMBL9736847 0.99 ATM (0.64) ATMMEN1KMT2AHTR1ADRD3
SCHEMBL9737314 0.88 ATM (0.54) ATMMEN1KMT2AHTR1ADRD3
SCHEMBL9737496 0.88 ATM (0.54) ATMMEN1KMT2AHTR1AADRB2
SCHEMBL9736715 0.88 ATM (0.54) ATMMEN1KMT2AHTR1ADRD2
SCHEMBL9736707 0.88 HTR1A (0.57) ATMMEN1KMT2AHTR1ADRD2
Hydrochloric Acid SCHEMBL9736783 0.87 ATM (0.56) ATMMEN1KMT2AHTR1AADRB2
Hydrochloric Acid SCHEMBL9737100 0.87 ATM (0.56) ATMMEN1KMT2AHTR1ADRD3
SCHEMBL9737244 0.87 DRD2 (0.54) ATMMEN1KMT2AHTR1ADRD2
Hydrochloric Acid SCHEMBL9736841 0.87 ATM (0.56) ATMMEN1KMT2AHTR1ADRD2

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