SCHEMBL9529632

SCHEMBL9529632

CCCCCC(Nc1nc(C)c(OC(=O)OCC(C)C)c(C)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.39
▸ GPR88 Q9GZN0 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 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
SCHEMBL9528447 0.97 TACR3 (0.38) TACR3GPR88POLB
SCHEMBL9528353 0.92 TACR3 (0.41) TACR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9527591 0.86 FAAH (0.42) TACR3GPR88
SCHEMBL9528534 0.85 TACR3 (0.42) TACR3GPR88POLBNPC1RAB9A
SCHEMBL9528223 0.84 TACR3 (0.41) TACR3GPR88POLBNPC1RAB9A
SCHEMBL9527611 0.83 TACR3 (0.41) TACR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9528466 0.83 TACR3 (0.41) TACR3SMN1; SMN2
SCHEMBL9527595 0.82 NCEH1 (0.42) TACR3GPR88POLB
SCHEMBL9530343 0.82 POLB (0.36) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9528680 0.80 TACR3 (0.41) TACR3NPC1RAB9ALMNA

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-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US claimed
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP claimed
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
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