SCHEMBL7328330

SCHEMBL7328330

COc1ccc2ccc(S(=O)(=O)NC(CCCNc3cccnn3)C(=O)N3CCC(C)CC3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 1.00
PRSS1 P07477 7/20 0.58

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
SCHEMBL7328328 1.00 F2 (1.00) F2PRSS1
SCHEMBL7337111 0.93 F2 (1.00) F2PRSS1
SCHEMBL7337117 0.93 F2 (1.00) F2PRSS1
SCHEMBL7329419 0.90 F2 (1.00) F2PRSS1
SCHEMBL7329427 0.90 F2 (1.00) F2PRSS1
SCHEMBL7332316 0.89 F2 (0.97) F2PRSS1
SCHEMBL7332324 0.89 F2 (0.97) F2PRSS1
SCHEMBL7339302 0.85 F2 (0.89) F2PRSS1
SCHEMBL7339298 0.85 F2 (0.89) F2PRSS1
SCHEMBL7331601 0.84 F2 (0.88) F2PRSS1

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-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US claimed
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed