SCHEMBL8486161

SCHEMBL8486161

[NH]C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
EPHX2 P34913 4/20 0.43
KDM1A O60341 1/20 0.41
RIPK1 Q13546 1/20 0.38
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP2C19 P33261 1/20 0.33
RBP4 P02753 1/20 0.33

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
SCHEMBL5758149 0.80 EPHX1 (0.46) EPHX1EPHX2KDM1ARIPK1ESR1
SCHEMBL4131266 0.78 EPHX1 (0.45) EPHX1EPHX2KDM1ARIPK1CYP2C19
SCHEMBL470951 0.78 ALDH1A1 (0.48) EPHX1EPHX2KDM1A
SCHEMBL1470211 0.78 EPHX1 (0.42) EPHX1EPHX2KDM1AESR1ESR2
SCHEMBL8164423 0.78
SCHEMBL3285103 0.77 LMNA (0.50) EPHX1EPHX2KDM1ARIPK1
Hydrochloric Acid SCHEMBL2798175 0.77 EPHX1 (0.44) EPHX1EPHX2KDM1ARIPK1
Hydrochloric Acid SCHEMBL2794765 0.77 EPHX1 (0.44) EPHX1EPHX2KDM1ARIPK1
Hydrochloric Acid SCHEMBL977934 0.75 LMNA (0.49) EPHX1EPHX2KDM1ARIPK1
SCHEMBL12436970 0.75 EPHX1 (0.43) EPHX1EPHX2KDM1ARIPK1

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-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed