SCHEMBL9737244

SCHEMBL9737244

COc1ccc(N2CCN(CCOc3cc(C)ccc3C(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
ADRA1A P35348 1/20 0.54
ATM Q13315 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ADRB2 P07550 1/20 0.49
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCB1 P08183 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 SCHEMBL9735824 0.99 DRD2 (0.55) DRD2HTR1AHTR2AHTR7ADRA1A
SCHEMBL9736707 0.89 HTR1A (0.57) DRD2HTR1AHTR2AATMMEN1
Hydrochloric Acid SCHEMBL9736841 0.88 ATM (0.56) DRD2HTR1AHTR2AATMMEN1
SCHEMBL9737496 0.88 ATM (0.54) HTR1AATMMEN1KMT2AMAPT
SCHEMBL9737314 0.88 ATM (0.54) DRD2HTR1AHTR2AATMMEN1
SCHEMBL9739717 0.87 ATM (0.62) DRD2HTR1AHTR2AATMMEN1
Hydrochloric Acid SCHEMBL9736783 0.87 ATM (0.56) HTR1AATMMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9737100 0.87 ATM (0.56) DRD2HTR1AHTR2AATMMEN1
Hydrochloric Acid SCHEMBL9736847 0.86 ATM (0.64) DRD2HTR1AHTR2AHTR7ADRA1A
Hydrochloric Acid SCHEMBL9736860 0.86 ATM (0.64) DRD2HTR1AHTR2AHTR7ADRA1A

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