SCHEMBL9728465

SCHEMBL9728465

c1ccc(CCC(CCc2c[nH]cn2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
ACP3 P15309 1/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.35
ANPEP P15144 2/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ERAP2 Q6P179 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
F2 P00734 1/20 0.33
MMP2 P08253 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL9728379 0.90 CYP19A1 (0.42) CYP19A1SLC6A4SLC6A2SLC6A3CYSLTR2
SCHEMBL9123062 0.90 CYP19A1 (0.46) CYP19A1ACP3SLC6A4KCNH2ANPEP
SCHEMBL9641597 0.82 HRH1 (0.44) CYP19A1
SCHEMBL9120160 0.81 CYP19A1 (0.45) CYP19A1SLC6A4SLC6A2SLC6A3CYSLTR2
SCHEMBL9190554 0.81 CYP19A1 (0.59) CYP19A1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL1753940 0.80 KCNH2 (0.50) KCNH2
SCHEMBL4382434 0.78 CYP19A1 (0.32) CYP19A1
SCHEMBL11348998 0.78 DHFR (0.44) CYP2D6
SCHEMBL1538332 0.78 CYP19A1 (0.54) CYP19A1ACP3SLC6A4KCNH2ANPEP
SCHEMBL8105600 0.78 CYP19A1 (0.36) CYP19A1

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-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 US disclosed