SCHEMBL8495148

SCHEMBL8495148

CC(C)[C@H](NC(=O)C[N+]1(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.40
PRSS2 P07478 6/20 0.40
PRSS3 P35030 6/20 0.40
TPSAB1 Q15661 6/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 4/20 0.34
PSMB5 P28074 1/20 0.34
CSGALNACT1 Q8TDX6 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL8491074 0.79 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8494793 0.77 ELANE (0.49) RAB9ANPC1ELANEPOLB
SCHEMBL7499006 0.77 RAB9A (0.48) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL7505093 0.73 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL7208823 0.73 PRSS1 (0.40) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8165421 0.72 KMT2A (0.43) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL27537539 0.69 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8491451 0.68 ELANE (0.64) ELANE
SCHEMBL892526 0.67 KMT2A (0.47) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL7199926 0.66 ELANE (0.71) ELANE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891852-A Serine protease inhibitors-cycloheptane derivatives CORTECH, INC. (US) 1999-04-06 US disclosed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US disclosed
US-5861380-A OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE; ADULT RESPIRATORY DISTRESS SYNDROME; ANTIARTHRITIC,-INFLAMMATORY,-ISCHEMIC,-TUMOR AND -CARCINOGENIC AGENTS AND OTHER HNE-MEDIATED CONDITIONS CORTECH, INC. (US) 1999-01-19 US disclosed
US-5807829-A RESPIRATORY SYSTEM DISORDERS; SESPIC SHOCK; ORGAN FAILURE CORTECH, INC. (US) 1998-09-15 US disclosed
US-5801148-A Serine protease inhibitors-proline analogs CORTECH, INC. (US) 1998-09-01 US disclosed