SCHEMBL7964663

SCHEMBL7964663

COC1=Cc2c(C#N)c(Cl)c(-c3cccnc3)n2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 10/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 4/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.38
DYRK1A Q13627 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL7592502 0.85 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL7963438 0.82 ALDH1A1 (0.32) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL7963731 0.81 CYP11B2 (0.39) CYP11B2CYP11B1PDE7APDE3APDE10A
SCHEMBL8330546 0.81 CYP11B2 (0.37) CYP11B2CYP11B1PDE7APDE3APDE10A
SCHEMBL7962634 0.80 CYP11B2 (0.36) CYP11B2CYP11B1KDM4EMAPTSQOR
SCHEMBL7961775 0.80 MKNK1 (0.39) CYP11B2CYP11B1PDE7APDE3APDE10A
SCHEMBL7962927 0.80 NR4A2 (0.40) CYP11B2CYP11B1MAPTHSD17B10ALDH1A1
SCHEMBL7590184 0.77 CYP11B2 (0.46) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL2158233 0.76 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKDM4ERXFP1
Hydrochloric Acid SCHEMBL7585391 0.76 CYP11B2 (0.45) CYP11B2CYP11B1MAOAKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed