SCHEMBL9737496

SCHEMBL9737496

Cc1ccc(C(C)C)c(OCCN2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
ADRB2 P07550 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB1 P08183 2/20 0.48
SLC6A3 Q01959 2/20 0.46
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL9736783 0.99 ATM (0.56) ATMMEN1KMT2ASLC6A2SLC6A4
SCHEMBL9737314 0.89 ATM (0.54) ATMMEN1KMT2ASLC6A2SLC6A4
SCHEMBL9739717 0.88 ATM (0.62) ATMMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL9737100 0.88 ATM (0.56) ATMMEN1KMT2ASLC6A2SLC6A4
SCHEMBL9737244 0.88 DRD2 (0.54) ATMMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL9736847 0.87 ATM (0.64) ATMMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL9736860 0.87 ATM (0.64) ATMMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL9735824 0.87 DRD2 (0.55) ATMMEN1KMT2AADRB2ALDH1A1
SCHEMBL9737024 0.85 ATM (0.51) ATMMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL9738018 0.84 ATM (0.53) ATMMEN1KMT2AADRB2ALDH1A1

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