SCHEMBL7148822

SCHEMBL7148822

C[C@@H]1C[C@@H](C)C2CN(Cc3ccc4c(c3)Nc3nccnc3S4)CC1C2CCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 20/20 0.62
VCAM1 P19320 1/20 0.61

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
SCHEMBL6746032 0.90 ICAM1 (0.72) ICAM1VCAM1
SCHEMBL6749661 0.90 ICAM1 (0.53) ICAM1VCAM1
SCHEMBL6745775 0.88 ICAM1 (0.58) ICAM1VCAM1
SCHEMBL6745788 0.83 ICAM1 (0.62) ICAM1VCAM1
SCHEMBL6749274 0.83 ICAM1 (0.74) ICAM1VCAM1
SCHEMBL6750738 0.79 ICAM1 (0.55) ICAM1VCAM1
SCHEMBL6749076 0.77 ICAM1 (1.00) ICAM1VCAM1
SCHEMBL6747286 0.76 ICAM1 (0.60) ICAM1VCAM1
SCHEMBL7145260 0.76 ICAM1 (0.74) ICAM1VCAM1
SCHEMBL8318910 0.76 ICAM1 (0.96) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed