SCHEMBL8035205

SCHEMBL8035205

COC(=O)CCc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C#N)cc12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.62
PRSS1 P07477 3/20 0.62
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.44
YAP1 P46937 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CCR3 P51677 3/20 0.41
TACR1 P25103 1/20 0.41
CREBBP Q92793 1/20 0.40

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
SCHEMBL7434637 0.85 F2 (0.85) F2PRSS1ALDH1A1TACR1
SCHEMBL8029555 0.82 F2 (0.53) F2PRSS1MGLLALDH1A1SMN1; SMN2
SCHEMBL7359275 0.82 F2 (0.74) F2PRSS1MGLLALDH1A1SMN1; SMN2
SCHEMBL7359272 0.82 F2 (0.74) F2PRSS1MGLLALDH1A1SMN1; SMN2
SCHEMBL7359608 0.75 F2 (0.68) F2PRSS1MGLLALDH1A1CCR3
SCHEMBL7360128 0.74 F2 (0.69) F2PRSS1MGLLALDH1A1SMN1; SMN2
SCHEMBL7367336 0.72 F2 (0.61) F2MGLLALDH1A1SMN1; SMN2CCR3
SCHEMBL8031092 0.70 F2 (1.00) F2PRSS1
SCHEMBL8029375 0.67 F2 (0.70) F2MGLLALDH1A1CCR3
SCHEMBL27484312 0.67 ALDH1A1 (0.54) F2PRSS1ALDH1A1SMN1; 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
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