SCHEMBL6693003

SCHEMBL6693003

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)C1=C(c2ccc(C(F)C(F)F)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 4/20 0.45
▸ HTR2C P28335 8/20 0.39
▸ HTR2B P41595 8/20 0.39
▸ HTR2A P28223 6/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ EIF2AK1 Q9BQI3 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ NPY2R P49146 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
SCHEMBL6489804 0.88 EIF2AK3 (0.48) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6500088 0.88 EIF2AK3 (0.50) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6492599 0.88 HTR2A (0.51) EIF2AK3HTR2CHTR2BHTR2ARIPK1
SCHEMBL6500118 0.86 HTR2C (0.49) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6491014 0.86 EIF2AK3 (0.50) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6692999 0.86 EIF2AK3 (0.45) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6489031 0.86 HTR2A (0.51) EIF2AK3HTR2CHTR2BHTR2ARIPK1
SCHEMBL6490743 0.86 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6498678 0.86 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2ACYP11B1
SCHEMBL6490739 0.86 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 — — EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — WO disclosed
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