SCHEMBL10367659

SCHEMBL10367659

COc1c(C)nc(NCCCc2ccc(Cl)cc2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ SLC2A1 P11166 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ADRB2 P07550 1/20 0.39

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
SCHEMBL10369583 0.83 SCN9A (0.43) ESR1ESR2SCN9A
SCHEMBL10367691 0.83 ESR1 (0.50) ESR1ESR2SCN9ATAAR1
SCHEMBL14215349 0.81 HPGD (0.48) ESR1ESR2
SCHEMBL10503330 0.76 SCN9A (0.45) ESR1ESR2SCN9A
SCHEMBL6337120 0.73 CA12 (0.52) ESR1ESR2SCN9A
SCHEMBL10369766 0.72 ALDH1A1 (0.38) —
SCHEMBL10502715 0.71 SCN9A (0.44) ESR1ESR2SCN9A
SCHEMBL10503381 0.71 SCN9A (0.44) ESR1ESR2SCN9A
SCHEMBL10367889 0.71 IGF1R (0.42) ESR1ESR2
SCHEMBL4441801 0.71 MAPT (0.60) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — EP claimed
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — EP disclosed
US-4711888-A Hydroxy and alkoxy pyrimidines PFIZER INC. (US) 1987-12-08 — — US disclosed
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