SCHEMBL7141889

SCHEMBL7141889

COCN1c2cc(CN(C(C)=O)C3CCN(CC(=O)O)CC3)ccc2Sc2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 12/20 0.38
OPRM1 P35372 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL6749436 0.87 UBE2M (0.34) ICAM1HDAC6
SCHEMBL8322460 0.83 ICAM1 (0.40) ICAM1HDAC6
SCHEMBL6749560 0.75 ICAM1 (0.47) ICAM1
SCHEMBL6747454 0.74 HDAC6 (0.43) ICAM1HDAC6LMNA
SCHEMBL6745329 0.73 ICAM1 (0.37) ICAM1HDAC6
SCHEMBL6749064 0.73 HDAC6 (0.41) ICAM1HDAC6
SCHEMBL6745847 0.73 HDAC6 (0.37) HDAC6LMNA
SCHEMBL6747276 0.72 HDAC6 (0.42) ICAM1HDAC6LMNA
SCHEMBL6751892 0.72 ICAM1 (0.43) ICAM1
SCHEMBL6751888 0.72 ICAM1 (0.43) ICAM1

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