SCHEMBL9529634

SCHEMBL9529634

CCCCCC(Nc1nc(C)c(O)c(C)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9530133 0.96 CACNA2D1 (0.43) TACR3CACNA2D1POLBALDH1A1MAPT
Phosphoric Acid SCHEMBL9531932 0.94 TACR3 (0.43) TACR3CACNA2D1POLBP2RX3CYP1A2
SCHEMBL10369837 0.90 GCGR (0.39) TACR3CACNA2D1POLBCNR2
SCHEMBL10368160 0.84 CACNA2D1 (0.41) TACR3CACNA2D1POLBALDH1A1MAPT
SCHEMBL9530046 0.83 TACR3 (0.41) TACR3CACNA2D1POLBALDH1A1MAPT
SCHEMBL10367529 0.83 TACR3 (0.39) TACR3CACNA2D1POLBALDH1A1MAPT
SCHEMBL10533270 0.83 CACNA2D1 (0.44) TACR3CACNA2D1POLBALDH1A1MAPT
SCHEMBL9528534 0.81 TACR3 (0.42) TACR3CACNA2D1POLBCYP1A2CYP2D6
SCHEMBL9528223 0.80 TACR3 (0.41) TACR3CACNA2D1POLBCYP1A2CYP2D6
SCHEMBL9528466 0.80 TACR3 (0.41) TACR3ALDH1A1CYP1A2CYP2D6CYP2C9

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 10 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
US-4711888-A Hydroxy and alkoxy pyrimidines PFIZER INC. (US) 1987-12-08 — — US claimed
EP-0210044-A2 Hydroxy and alkoxy pyrimidines PFIZER INC. (US) 1987-01-28 — — EP claimed
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO disclosed
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
US-4711888-A Hydroxy and alkoxy pyrimidines PFIZER INC. (US) 1987-12-08 — — US disclosed
EP-0210044-A2 Hydroxy and alkoxy pyrimidines PFIZER INC. (US) 1987-01-28 — — EP disclosed
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