SCHEMBL6591209

SCHEMBL6591209

CCN1CCN(c2cc(Cl)cc(C(=O)Nc3ccc(Cl)cn3)c2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ATR Q13535 1/20 0.46
▸ F2 P00734 1/20 0.45

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
SCHEMBL6591490 0.89 F10 (0.59) F10SMN1; SMN2F2
SCHEMBL6591567 0.87 F10 (0.59) F10
SCHEMBL6594066 0.85 ALDH1A1 (0.49) F10NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6593519 0.85 F10 (0.62) F10TSHRF2
SCHEMBL7590490 0.83 F10 (0.44) F10NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6594121 0.83 PTPN11 (0.49) F10TSHRSMN1; SMN2
SCHEMBL27472592 0.82 F10 (0.61) F10
SCHEMBL6590054 0.78 F2 (0.62) F10F2
SCHEMBL6261356 0.76 RAB9A (0.64) F10NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL6592032 0.75 RAB9A (0.56) F10NPC1TSHRRAB9ASMN1; SMN2

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-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 — — EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 — — US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 — — US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 — — US disclosed
Send feedback