SCHEMBL7285697

SCHEMBL7285697

N=C(N)N(CCCc1c[nH]cn1)CCC(c1ccc(F)cc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TBXAS1 P24557 1/20 0.35
CASR P41180 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL7285523 0.92 CYP19A1 (0.40) CYP19A1LMNANPSR1
SCHEMBL7285906 0.91 CYP19A1 (0.39) CYP19A1TBXAS1CASR
SCHEMBL7285350 0.91 CYP19A1 (0.37) CYP19A1
SCHEMBL7295465 0.90 CYP19A1 (0.36) CYP19A1
SCHEMBL7433406 0.85 PTGDR2 (0.37) LMNACASR
SCHEMBL7279920 0.85 CHRM2 (0.41) LMNANPSR1
Hydrochloric Acid SCHEMBL7428983 0.84 PTGDR2 (0.36) LMNA
SCHEMBL7286799 0.82 SIGMAR1 (0.38) LMNANPSR1
SCHEMBL9709997 0.81 EPHX2 (0.48) CYP19A1EPHX2LMNAHTTNPSR1
SCHEMBL7285767 0.79 PTGDR2 (0.34) EPHX2LMNAHTTNPSR1

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-0262448-B1 IMIDAZOLYLGUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1991-12-18 EP claimed
EP-0262448-B1 IMIDAZOLYLGUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1991-12-18 EP disclosed