SCHEMBL6769174

SCHEMBL6769174

CC(C)N1CCC(CNc2nccnc2C(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.54
▸ F2 P00734 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.42
▸ DEGS1 O15121 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
Hydrochloric Acid SCHEMBL6780186 0.86 F10 (0.56) F10F2MCHR1NR3C1NPC1
Hydrochloric Acid SCHEMBL6774963 0.86 F10 (0.56) F10F2MCHR1NR3C1NPC1
Hydrochloric Acid SCHEMBL6773951 0.85 F10 (0.61) F10F2MCHR1NR3C1NPC1
Hydrochloric Acid SCHEMBL6887808 0.85 F10 (0.61) F10F2MCHR1NR3C1NPC1
SCHEMBL6107968 0.82 F10 (0.73) F10F2
SCHEMBL6107570 0.82 F10 (0.60) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL2981323 0.80 F10 (0.59) F10F2DEGS1LMNANR3C1
SCHEMBL2974502 0.80 F10 (0.75) F10F2DEGS1NR3C1
SCHEMBL6108954 0.80 F10 (0.65) F10F2TSHRRAB9ASMN1; SMN2
SCHEMBL6106469 0.79 F10 (0.64) F10F2TSHRNPC1RAB9A

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
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 — — US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 — — EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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