SCHEMBL11468097

SCHEMBL11468097

NC(=NC(=O)NCC1CCCCC1)NCCCN1CCN(CCCNC(N)=NC(=O)NCC2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.52
▸ FPR3 P25089 1/20 0.52
▸ FPR2 P25090 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ EPHX1 P07099 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAD52 P43351 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL11477579 0.92 FPR3 (0.46) SIGMAR1FPR3FPR2ALDH1A1DRD2
SCHEMBL11460079 0.86 EPHX1 (0.47) SIGMAR1FPR3FPR2EPHX1CYP2D6
Ipexidine SCHEMBL11468017 0.75 GNAI3 (0.52) SIGMAR1FPR3FPR2SMN1; SMN2EPHX1
SCHEMBL10723940 0.72 DRD2 (0.65) SIGMAR1FPR3FPR2SMN1; SMN2DRD2
SCHEMBL491686 0.70 SIGMAR1 (0.60) SIGMAR1FPR3FPR2
SCHEMBL19849351 0.70 SMN1; SMN2 (0.70) SIGMAR1ALDH1A1SMN1; SMN2DRD2DRD3
SCHEMBL491685 0.70 FPR3 (0.49) SIGMAR1FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL11468030 0.69 LMNA (0.40) ALDH1A1SMN1; SMN2DRD2GAA
Hydrochloric Acid SCHEMBL6347355 0.69 FPR3 (0.48) SIGMAR1FPR3FPR2ALDH1A1SMN1; SMN2
SCHEMBL10724053 0.69 ALDH1A1 (0.69) SIGMAR1FPR3FPR2ALDH1A1SMN1; 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 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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