SCHEMBL11468030

SCHEMBL11468030

CC(C)(C)CC(C)(C)NC(=O)N=C(N)NCCCN1CCN(CCCNC(N)=NC(=O)NC(C)(C)CC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ DRD4 P21917 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL11501681 0.79 CHEK1 (0.34) KDM4E
SCHEMBL23344391 0.78 LMNA (0.46) LMNASMN1; SMN2GAAMAPTALDH1A1
Ipexidine SCHEMBL11468017 0.75 GNAI3 (0.52) SMN1; SMN2GAATP53USP2KDM4E
SCHEMBL11468097 0.69 SIGMAR1 (0.52) SMN1; SMN2GAAALDH1A1DRD2
SCHEMBL11575634 0.68 USP2 (0.52) LMNASMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11501942 0.68 TP53 (0.56) SMN1; SMN2MAPTTP53DRD4
SCHEMBL10721796 0.66 DRD4 (0.65) LMNASMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11574769 0.66 SIGMAR1 (0.61) MAPTALDH1A1TP53DRD4DRD2
SCHEMBL11726248 0.66 LMNA (0.48) LMNASMN1; SMN2GAAMAPTALDH1A1
SCHEMBL3265179 0.65 SMN1; SMN2 (0.53) LMNASMN1; SMN2GAAMAPTALDH1A1

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-4209624-A Process for preparing substituted bis(amidinoureas) COOPER LABORATORIES, INC. (US) 1980-06-24 — — US disclosed
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