SCHEMBL8692756

SCHEMBL8692756

CC(C(=O)O)(c1ccccc1)N1CCNCC1Cc1cc(-c2ccccc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ SLC5A1 P13866 8/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ SHMT1 P34896 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ PIM1 P11309 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
Hydrochloric Acid SCHEMBL8693832 0.99 CCNC (0.34) CCNCCDK8KDM5CKDM4CSLC5A1
SCHEMBL8695947 0.77 SLC6A4 (0.40) —
SCHEMBL8690759 0.76 SLC6A4 (0.43) —
SCHEMBL8692764 0.70 DRD2 (0.40) —
Hydrochloric Acid SCHEMBL8693842 0.69 DRD2 (0.39) —
SCHEMBL28296034 0.67 CCNC (0.47) CCNCCDK8USP30
SCHEMBL28296036 0.67 CCNC (0.47) CCNCCDK8USP30
SCHEMBL30153724 0.66 DAGLA (0.47) —
SCHEMBL8690695 0.65 KDM4E (0.42) KDM5CKDM4CUSP30
SCHEMBL4319319 0.63 PARP1 (0.52) —

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-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 — — US claimed
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 — — US disclosed
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