SCHEMBL7149885

SCHEMBL7149885

COCN1c2cc(CN3CCC(CCC(C)C(=O)O)CC3)c(OC)cc2Sc2nccnc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 8/20 0.53
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6752117 0.85 ICAM1 (0.45) ICAM1FAAHMEN1POLBKMT2A
SCHEMBL7149891 0.83 ALDH1A1 (0.35) ICAM1FAAHMEN1POLBKMT2A
SCHEMBL6752121 0.80 ICAM1 (0.35) ICAM1FAAHMEN1POLBKMT2A
SCHEMBL6750559 0.75 ICAM1 (0.63) ICAM1FAAHCHRM4
SCHEMBL6745545 0.73 ICAM1 (0.66) ICAM1FAAH
SCHEMBL6746486 0.70 ICAM1 (0.42) ICAM1FAAH
SCHEMBL6749892 0.70 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL8522768 0.69 ICAM1 (0.36) ICAM1KDM4EALDH1A1
SCHEMBL6751892 0.68 ICAM1 (0.43) ICAM1KDM4EALDH1A1
SCHEMBL6751888 0.68 ICAM1 (0.43) ICAM1KDM4EALDH1A1

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