SCHEMBL8029375

SCHEMBL8029375

N#Cc1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3F)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.70
CCR3 P51677 2/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.42
PRMT5 O14744 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GRIN2B Q13224 1/20 0.40
MGLL Q99685 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL7359608 0.87 F2 (0.68) F2CCR3ALDH1A1TSHRHSD17B10
SCHEMBL7363988 0.83 F2 (1.00) F2MAPTGRIN2B
SCHEMBL8029392 0.80 F2 (0.52) F2ALDH1A1TSHRHSD17B10USP2
SCHEMBL7365807 0.76 CCR3 (0.45) F2CCR3HTR2AGRIN2BMGLL
Hydrochloric Acid SCHEMBL7367289 0.76 ALDH1A1 (0.47) F2ALDH1A1TSHRHSD17B10USP2
SCHEMBL7365856 0.73 F2 (0.51) F2MAPTALDH1A1TSHRHSD17B10
SCHEMBL7368341 0.71 MGLL (0.55) F2CCR3MEN1KMT2AHTR2A
SCHEMBL28329339 0.70 EPHX2 (0.57) F2CCR3ALDH1A1HPGDMEN1
SCHEMBL7360128 0.70 F2 (0.69) F2CCR3ALDH1A1MEN1KMT2A
SCHEMBL8029379 0.70 PRKAA2 (0.45) F2ALDH1A1TSHRHSD17B10USP2

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
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed