SCHEMBL9202802

SCHEMBL9202802

CN1CCC(C(=O)N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51
IDH1 O75874 13/20 0.46
TSHR P16473 1/20 0.43
RIPK1 Q13546 1/20 0.41

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
SCHEMBL9198302 0.81 ALOX15 (0.50) ALOX15BRD4CREBBP
SCHEMBL2824864 0.75 BRD4 (0.56) ALOX15BRD4CREBBP
SCHEMBL13313600 0.74 BRD4 (0.57) BRD4CREBBP
SCHEMBL508184 0.70 ALOX15 (0.98) ALOX15
SCHEMBL508185 0.70 ALOX15 (0.98) ALOX15
SCHEMBL29468680 0.70 ALOX15 (0.98) ALOX15
SCHEMBL29462345 0.70 ALOX15 (0.98) ALOX15
SCHEMBL677636 0.69 BRD4 (1.00) BRD4CREBBP
SCHEMBL9544432 0.69 KDM4E (0.37) TSHRRIPK1
SCHEMBL10414143 0.69 KEAP1 (0.76) TSHR

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
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed