SCHEMBL6997033

SCHEMBL6997033

[NH]C1CCC(C(=O)N2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.54
HTT P42858 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6997035 1.00 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL11158442 0.90 TSHR (0.65) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2952742 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2952745 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL3087287 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL3087285 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL13194529 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL6989286 0.82 HPGD (0.75) TSHRSMN1; SMN2HPGDHTTMEN1
SCHEMBL20405434 0.82 ALDH1A1 (0.61) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL6989289 0.82 HPGD (0.75) TSHRSMN1; SMN2HPGDHTTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP 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 claimed
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 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
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US 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