SCHEMBL8318910

SCHEMBL8318910

O=C(O)CC1C2CCCCC1CN(Cc1ccc3c(c1)Nc1nccnc1S3)C2

nearest known ligand 0.96

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 20/20 0.96
VCAM1 P19320 1/20 0.96

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
SCHEMBL6747579 0.98 ICAM1 (1.00) ICAM1VCAM1
SCHEMBL29367216 0.98 ICAM1 (1.00) ICAM1VCAM1
Hydrochloric Acid SCHEMBL6749074 0.97 ICAM1 (0.98) ICAM1VCAM1
Sulfuric Acid SCHEMBL6749617 0.95 ICAM1 (0.93) ICAM1VCAM1
SCHEMBL6747371 0.93 ICAM1 (0.90) ICAM1VCAM1
SCHEMBL7147635 0.89 ICAM1 (0.83) ICAM1VCAM1
Potassium Ion SCHEMBL6745145 0.89 ICAM1 (0.83) ICAM1VCAM1
SCHEMBL6749067 0.88 ICAM1 (0.81) ICAM1VCAM1
SCHEMBL6749274 0.85 ICAM1 (0.74) ICAM1VCAM1
SCHEMBL6749644 0.85 ICAM1 (0.77) ICAM1VCAM1

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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed