SCHEMBL11501940

SCHEMBL11501940

N=C(N)N(CCCN1CCN(CCCN(C(=N)N)C(=O)Nc2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 7/20 0.50
▸ TP53 P04637 1/20 0.47
▸ SIGMAR1 Q99720 5/20 0.46
▸ CNR1 P21554 2/20 0.45
▸ HRH3 Q9Y5N1 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
SCHEMBL11668321 0.86 TSHR (0.49) TP53CNR1
SCHEMBL11668286 0.86 TSHR (0.49) TP53CNR1
SCHEMBL11501626 0.86 TSHR (0.49) TP53CNR1
SCHEMBL11501927 0.81 TSHR (0.51) TP53SIGMAR1HRH3
SCHEMBL11501785 0.78 TSHR (0.54) TP53SIGMAR1HRH3
SCHEMBL11574763 0.76 SIGMAR1 (0.44) SIGMAR1HRH3
SCHEMBL11668287 0.72 MEN1 (0.45) —
SCHEMBL11668317 0.72 ALDH1A1 (0.49) —
SCHEMBL11572949 0.72 MAPT (0.44) TP53CNR1
SCHEMBL11668516 0.72 ALDH1A1 (0.45) TP53

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
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 — — US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US disclosed
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