SCHEMBL7962938

SCHEMBL7962938

COC1CCCn2c(-c3cccnc3)c(Cl)c(C(C)=O)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.36
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNB3 Q05901 2/20 0.35
NR4A2 P43354 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP11B1 P15538 4/20 0.34
CYP17A1 P05093 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP21A2 P08686 1/20 0.34
KCNH2 Q12809 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8328200 0.92 CHRNB1 (0.35) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2157354 0.91 MKNK1 (0.39) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7965546 0.91 NR4A2 (0.40) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7967732 0.86 CYP11B2 (0.39) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7965050 0.82 CYP2C19 (0.33) CYP2C19ALDH1A1POLB
SCHEMBL2157391 0.81 CYP11B2 (0.40) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7965681 0.80 FPR1 (0.33) FPR1FPR2
SCHEMBL7962101 0.80 NR4A2 (0.40) CYP11B2NR4A2CYP11B1CYP19A1FPR1
SCHEMBL7954864 0.77 CYP11B2 (0.42) CYP11B2P2RX7CYP11B1CYP3A4CYP2A6
SCHEMBL8325325 0.77 CYP11B2 (0.39) CYP11B2CYP2C9KCNH2FPR1FPR2

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-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
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