SCHEMBL30543439

SCHEMBL30543439

Nc1cccc(CN2CCNCC2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SIGMAR1 Q99720 1/20 0.46
CXCR4 P61073 7/20 0.44
HTR6 P50406 2/20 0.40
CHRM2 P08172 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Formic Acid Methyl Ester SCHEMBL28036619 0.88 LMNA (0.45) LMNASIGMAR1CXCR4HTR6CHRM2
SCHEMBL247774 0.85 ALDH1A1 (0.56) SIGMAR1ALDH1A1HRH3CYP2A13
SCHEMBL10315553 0.83 ALDH1A1 (0.59) LMNAALDH1A1HRH3
SCHEMBL2925434 0.83 LMNA (0.54) LMNASIGMAR1CXCR4HTR6CHRM2
SCHEMBL11558241 0.83 LMNA (0.62) LMNASIGMAR1CXCR4HTR6CHRM2
SCHEMBL21416735 0.81 LMNA (0.59) LMNASIGMAR1CXCR4HTR6CHRM2
SCHEMBL24113849 0.81 KDM4E (0.48) LMNAHTR6ALDH1A1ADRA2C
SCHEMBL22684197 0.81 LMNA (0.44) LMNASIGMAR1CXCR4CHRM2ALDH1A1
SCHEMBL249086 0.81 CYP2A13 (0.61) LMNACXCR4ALDH1A1MEN1KMT2A
SCHEMBL29738173 0.81 LMNA (0.51) LMNASIGMAR1CXCR4ALDH1A1SLC6A4

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
EP-2970123-B2 CRYSTALLINE DIHYDROCHLORIDE HYDRATE SALT OF OMECAMTIV MECARBIL AND PROCESS FOR ITS PREPARATION AMGEN INC (US) 2025-12-10 EP claimed
EP-3925950-B1 SYNTHESIS OF OMECAMTIV MECARBIL AMGEN INC (US) 2023-09-06 EP claimed