SCHEMBL7488328

SCHEMBL7488328

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.38
▸ F10 P00742 5/20 0.38
▸ DPP8 Q6V1X1 5/20 0.38
▸ DPP9 Q86TI2 5/20 0.38
▸ DPP7 Q9UHL4 5/20 0.38
▸ F2 P00734 2/20 0.37
▸ F7 P08709 1/20 0.35
▸ OPRK1 P41145 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7486565 0.91 F2 (0.38) F10F2F7
SCHEMBL7447663 0.91 PLAU (0.40) F10F2F7NPC1
SCHEMBL7491657 0.89 MEN1 (0.40) DPP4F10DPP8DPP9DPP7
SCHEMBL7491327 0.87 F10 (0.38) F10F2F7
SCHEMBL7447443 0.87 POLB (0.44) DPP4F10DPP8DPP9DPP7
SCHEMBL7493490 0.84 NOS3 (0.39) DPP4F10F2NPC1
SCHEMBL7447646 0.83 F2 (0.39) F10F2F7NPC1
SCHEMBL7491570 0.83 F10 (0.42) F10F2F7NPC1
SCHEMBL7488683 0.83 F2 (0.37) F10F2F7NPC1
SCHEMBL7448832 0.83 F2 (0.39) F10F2F7NPC1

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 claimed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US claimed
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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