SCHEMBL9640807

SCHEMBL9640807

COc1cccc(C(CCc2c[nH]cn2)c2cccc(OC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
PKM P14618 1/20 0.44
CASR P41180 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP19A1 P11511 2/20 0.39
AOC3 Q16853 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL9642024 0.83 CYP19A1 (0.56) CYP19A1AOC3LMNAMAPTALOX12
SCHEMBL9641135 0.83 CYP19A1 (0.56) CYP19A1MEN1ALDH1A1LMNAMAPT
SCHEMBL9641597 0.81 HRH1 (0.44) CYP19A1
SCHEMBL9641594 0.81 CYP19A1 (0.56) SLC6A4CYP19A1AOC3
SCHEMBL9119464 0.79 CYP19A1 (0.46) CASRCYP19A1MEN1ALDH1A1LMNA
SCHEMBL224560 0.79 TAAR1 (0.51) DRD2AOC3
SCHEMBL9119587 0.77 CYP19A1 (0.49) CYP19A1MEN1ALDH1A1LMNAMAPT
SCHEMBL9728311 0.76 CYP19A1 (0.55) CASRCYP19A1
SCHEMBL9121789 0.76 CYP19A1 (0.57) CYP19A1LMNAMAPTALOX12HTT
SCHEMBL4379680 0.75 KDM4E (0.49) DRD2MEN1ALDH1A1LMNAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP claimed
EP-0311447-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1989-04-12 EP claimed
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP disclosed
US-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 US disclosed
EP-0311447-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1989-04-12 EP disclosed