SCHEMBL7968397

SCHEMBL7968397

COc1c(C(N)=O)c2n(c1-c1cccnc1Cl)CCCC2O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 3/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
ZAP70 P43403 1/20 0.31
SYK P43405 1/20 0.31
ACVR1 Q04771 1/20 0.31
HPGD P15428 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 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
SCHEMBL8328923 0.91 DHODH (0.37) FAAHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7961656 0.91 FAAH (0.34) FAAHHCRTR1HCRTR2SCN9AALDH1A1
SCHEMBL7962570 0.90 CDK5 (0.34) FAAHHCRTR2ALDH1A1CYP2C19AVPR2
SCHEMBL7963165 0.88 SCN9A (0.34) HCRTR1HCRTR2SCN9AALDH1A1ZAP70
SCHEMBL7961792 0.87 DHODH (0.36) FAAHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7952522 0.87 ALDH1A1 (0.35) FAAHHCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL7964348 0.82 KDM4E (0.35) ALDH1A1HPGD
SCHEMBL7961238 0.82 ALDH1A1 (0.32) HCRTR1HCRTR2ALDH1A1CYP2C19HPGD
SCHEMBL7962103 0.82 MEN1 (0.35) ALDH1A1CYP2C19HPGDCDK5DYRK1A
SCHEMBL7961108 0.81 DHODH (0.35) HCRTR1HCRTR2ALDH1A1CYP2C19HPGD

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 4 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