SCHEMBL7488345

SCHEMBL7488345

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc2ccc(C(=N)N)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.36
▸ F10 P00742 4/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL7488683 0.87 F2 (0.37) F2F10RAB9AKMT2AMEN1
SCHEMBL7447663 0.86 PLAU (0.40) F2F10RAB9AKMT2AMEN1
SCHEMBL7441622 0.86 RAB9A (0.36) RAB9AKMT2ASIGMAR1L3MBTL1MEN1
SCHEMBL7487759 0.86 RAB9A (0.36) RAB9AKMT2ASIGMAR1L3MBTL1MEN1
SCHEMBL7494003 0.84 F2 (0.36) F2F10PRSS1F7
SCHEMBL7447646 0.82 F2 (0.39) F2F10PRSS1F7
SCHEMBL7486565 0.82 F2 (0.38) F2F10PRSS1F7
SCHEMBL7491570 0.81 F10 (0.42) F2F10PRSS1F7
SCHEMBL7488328 0.81 DPP4 (0.38) F2F10F7
SCHEMBL7448832 0.81 F2 (0.39) F2F10PRSS1F7

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
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
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