SCHEMBL7441622

SCHEMBL7441622

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ SNCA P37840 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL7487759 1.00 RAB9A (0.36) RAB9AKMT2ASLC6A4SIGMAR1L3MBTL1
SCHEMBL7489629 0.87 SLC6A4 (0.38) RAB9AKMT2ASLC6A4MEN1ROCK2
SCHEMBL7489622 0.87 SLC6A4 (0.38) RAB9AKMT2ASLC6A4MEN1ROCK2
SCHEMBL7488345 0.86 F2 (0.36) RAB9AKMT2ASIGMAR1L3MBTL1ALDH1A1
SCHEMBL7447108 0.86 MEN1 (0.39) RAB9AKMT2ASLC6A4MEN1ROCK2
SCHEMBL7496052 0.86 MEN1 (0.39) RAB9AKMT2ASLC6A4MEN1ROCK2
SCHEMBL7490466 0.82 HRH3 (0.37) SLC6A4ALDH1A1DPP4
SCHEMBL7490459 0.82 HRH3 (0.37) SLC6A4ALDH1A1DPP4
SCHEMBL7452435 0.81 SLC6A4 (0.38) KMT2ASLC6A4ALDH1A1
SCHEMBL7485841 0.81 SLC6A4 (0.38) KMT2ASLC6A4ALDH1A1

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 4 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
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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