SCHEMBL7074035

SCHEMBL7074035

Cc1cc(N2CCCOc3ccccc32)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NUDT1 P36639 1/20 0.44
PDPK1 O15530 1/20 0.44
HRH3 Q9Y5N1 3/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ROCK1 Q13464 1/20 0.38
TSHR P16473 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
NOTUM Q6P988 1/20 0.36
NCF1 P14598 1/20 0.36

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
SCHEMBL5748240 0.92 CRHBP (0.50) CRHBPCRHR2MAPTGFERSMN1; SMN2
Hydrochloric Acid SCHEMBL5749583 0.76 NUDT1 (0.69) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL2727649 0.76 PDPK1 (0.46) NUDT1PDPK1MKNK1MKNK2ROCK1
SCHEMBL5747568 0.76 NUDT1 (0.65) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL7077159 0.74 ROCK1 (0.61) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL7076191 0.68 NUDT1 (0.55) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL21516212 0.67 CRHBP (0.88) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL31472334 0.67 CRHBP (0.88) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL21516206 0.67 CRHBP (0.55) CRHBPCRHR2MAPTGFERSMN1; SMN2
SCHEMBL21516848 0.67 CRHBP (0.55) CRHBPCRHR2MAPTGFERSMN1; SMN2

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
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed