SCHEMBL7964696

SCHEMBL7964696

COc1c(C#N)c2n(c1-c1cccnc1)CCCC2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
KDM4E B2RXH2 5/20 0.39
GLA P06280 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SQOR Q9Y6N5 1/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNB1 P11230 3/20 0.36
CHRNB3 Q05901 3/20 0.36
CYP11B1 P15538 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNA2 Q15822 2/20 0.35
UCHL1 P09936 2/20 0.35
CHRNA1 P02708 2/20 0.35

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
SCHEMBL7961438 0.87 CYP11B2 (0.41) CYP11B2KDM4EGLACHRNB2CHRNB4
SCHEMBL7967494 0.86 CYP11B2 (0.41) CYP11B2KDM4ERXFP1CHRNB2CHRNB4
SCHEMBL2158211 0.84 KMT2A (0.40) CYP11B2KDM4EGLARXFP1CHRNB2
SCHEMBL7961681 0.83 CYP11B2 (0.37) CYP11B2KDM4EGLACYP11B1MAOA
SCHEMBL8328648 0.82 KDM4E (0.38) CYP11B2KDM4ENPSR1CHRNB2CHRNB4
SCHEMBL7967855 0.82 UCHL1 (0.40) CYP11B2KDM4ECYP11B1ALDH1A1UCHL1
SCHEMBL7963297 0.81 MKNK1 (0.42) CYP11B2KDM4ENPSR1CHRNB2CHRNB4
SCHEMBL7952536 0.81 ALDH1A1 (0.40) CYP11B2KDM4ENPSR1CYP11B1ALDH1A1
SCHEMBL7965300 0.81 KCNMA1 (0.34) CYP11B2SQORCHRNB4CHRNA3USP30
SCHEMBL7961349 0.81 KCNMA1 (0.34) KDM4ECHRNB4CHRNA3MAPTALDH1A1

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