SCHEMBL7701344

SCHEMBL7701344

CC(=O)N1CCC(C2(c3ccc(F)cc3F)CO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 4/20 0.40
NPY5R Q15761 1/20 0.38
OPRL1 P41146 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
QDPR P09417 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL31196623 0.72 OPRL1 (0.53) DPP4DPP7MAPTOPRL1QDPR
SCHEMBL1838212 0.70 MEN1 (0.61) DPP4DPP7HDAC3HDAC1HDAC2
SCHEMBL9381927 0.69 CHRM2 (0.44) RORC
SCHEMBL22585204 0.68 DPP4 (0.40) DPP4DPP7HDAC3HDAC1HDAC2
SCHEMBL9865846 0.68 ALDH1A1 (0.55) DPP4DPP7MAPTALDH1A1
SCHEMBL15785129 0.68 ACKR3 (0.52) DPP4DPP7OPRL1
SCHEMBL30978712 0.67 RORC (0.44) DPP4DPP7RORC
SCHEMBL22585155 0.67 RORC (0.44) DPP4DPP7RORC
SCHEMBL7931887 0.67 MEN1 (0.46) DPP4DPP7HDAC3HDAC1HDAC2
SCHEMBL7931883 0.67 MEN1 (0.46) DPP4DPP7HDAC3HDAC1HDAC2

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-6348457-B1 ANTAGONIZING RESERPINE IN MAMMALS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-19 US disclosed
EP-0672043-B1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA NV (BE) 2001-05-30 EP disclosed
EP-0672043-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-20 EP disclosed
WO-1994001437-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-20 WO disclosed