SCHEMBL10831783

SCHEMBL10831783

N#Cc1ccc(C(=O)N2CCNC2=Nc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ SLC6A7 Q99884 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AVPR2 P30518 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34

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
SCHEMBL10832211 0.91 SCN5A (0.39) SCN5ASCN9ASLC6A7CRHBPCRHR2
SCHEMBL10831833 0.91 CRHBP (0.41) CRHBPCRHR2ALDH1A1MAPT
SCHEMBL10833168 0.87 HSP90AA1 (0.43) CRHBPCRHR2
SCHEMBL10832363 0.83 OPRK1 (0.36) SCN5ASCN9ASLC6A7ALDH1A1PDK1
SCHEMBL10831688 0.83 SLC6A7 (0.37) SCN5ASCN9ASLC6A7ALDH1A1PDK1
SCHEMBL10833132 0.82 GAA (0.38) SLC6A7ALDH1A1PDK1PDK2PDK3
SCHEMBL10831824 0.82 GPR6 (0.43) CRHBPCRHR2ALDH1A1F10MAPT
SCHEMBL10832370 0.81 SLC6A7 (0.39) SCN5ASCN9ASLC6A7ALDH1A1PDK1
SCHEMBL10832807 0.81 SLC6A7 (0.39) SCN5ASCN9ASLC6A7ALDH1A1PDK1
SCHEMBL11363350 0.79 HPGD (0.43) CRHBPCRHR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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