SCHEMBL7487473

SCHEMBL7487473

CCn1c(CC[C@H]2C[C@H](C)CN2C(=O)[C@H]2CCCN2)cc2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.35
▸ KDM2B Q8NHM5 3/20 0.33
▸ CCR9 P51686 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PFKFB3 Q16875 4/20 0.33
▸ PFKFB2 O60825 3/20 0.33
▸ PFKFB1 P16118 3/20 0.33
▸ CTSC P53634 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7492809 0.90 DPP4 (0.33) DPP4CCR9PFKFB3PFKFB2PFKFB1
SCHEMBL7486877 0.88 DPP4 (0.38) DPP4CCR9PFKFB3PFKFB2PFKFB1
SCHEMBL7486885 0.88 DPP4 (0.38) DPP4CCR9PFKFB3PFKFB2PFKFB1
SCHEMBL7482932 0.87 DPP4 (0.41) DPP4PFKFB3PFKFB2PFKFB1SLC6A4
SCHEMBL7494337 0.87 DPP4 (0.41) DPP4PFKFB3PFKFB2PFKFB1SLC6A4
SCHEMBL7482926 0.87 DPP4 (0.41) DPP4PFKFB3PFKFB2PFKFB1SLC6A4
SCHEMBL7496050 0.87 SLC6A4 (0.40) DPP4ALDH1A1PFKFB3PFKFB2PFKFB1
SCHEMBL7441287 0.87 SLC6A4 (0.40) DPP4ALDH1A1PFKFB3PFKFB2PFKFB1
SCHEMBL7485835 0.85 ALDH1A1 (0.38) KDM2BCCR9ALDH1A1KDM4ETSHR
SCHEMBL7485833 0.85 ALDH1A1 (0.38) KDM2BCCR9ALDH1A1KDM4ETSHR

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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