SCHEMBL7964338

SCHEMBL7964338

COC1CCCn2c(-c3cccnc3F)c(Cl)c(C#N)c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.35
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP11B1 P15538 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
BACE1 P56817 1/20 0.31
KCNMA1 Q12791 2/20 0.31

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
SCHEMBL7961100 0.90 DPP4 (0.33) CHRNB4CHRNA3KCNMA1
SCHEMBL7962392 0.85 CYP11B2 (0.37) CYP11B2CYP11B1KCNMA1
SCHEMBL7965681 0.81 FPR1 (0.33) BACE1
SCHEMBL8330797 0.81 DHODH (0.36) BACE1
SCHEMBL2157391 0.81 CYP11B2 (0.40) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL7961758 0.80 FPR1 (0.35) BACE1
SCHEMBL7961641 0.80 BACE1 (0.34) BACE1
SCHEMBL7965300 0.76 KCNMA1 (0.34) CYP11B2PDE2APDE10ACHRNB4CHRNA3
SCHEMBL7946457 0.76 ALDH1A1 (0.42) CYP11B2
SCHEMBL7961767 0.75 KCNMA1 (0.38) CYP11B2CYP11B1KCNMA1

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