SCHEMBL15033840

SCHEMBL15033840

CC1CC[C@H](C)C[C@H]1C(=O)NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.38
ENPP2 Q13822 10/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
CNR1 P21554 2/20 0.34
LMNA P02545 2/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9940039 0.92 PTGES (0.38) PTGESENPP2TP53MAPTCNR1
SCHEMBL9939977 0.92 PTGES (0.38) PTGESENPP2TP53MAPTCNR1
SCHEMBL14238584 0.86 HPGD (0.41) PTGESENPP2TP53MAPTCNR1
SCHEMBL9941944 0.86 SMO (0.44) PTGESENPP2TP53MAPTCNR1
SCHEMBL9940038 0.83 ALDH1A1 (0.40) PTGESENPP2TP53MAPTLMNA
SCHEMBL9939974 0.82 PTGES (0.43) PTGESENPP2CNR1
SCHEMBL9939771 0.81 PTGES (0.47) PTGESENPP2TP53MAPTLMNA
SCHEMBL9939775 0.81 DRD2 (0.40) PTGESENPP2CNR1TRPV1
SCHEMBL9939834 0.80 PTGES (0.38) PTGESENPP2MAPTCNR1TRPV1
SCHEMBL9939776 0.80 PTGES (0.38) PTGESENPP2CNR1TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed