SCHEMBL8392005

SCHEMBL8392005

N=C(Nc1cccc(C(=O)NCCc2ccc(F)cc2)c1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.56
KMT2A Q03164 1/20 0.53
NAMPT P43490 3/20 0.53
CXCR3 P49682 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 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
SCHEMBL8394017 0.90 LMNA (0.58) KMT2ANAMPTEPHX2LMNANPC1
SCHEMBL8392950 0.90 KDM1A (0.53) MCHR1NAMPTLMNANPC1RAB9A
Hydrochloric Acid SCHEMBL8397090 0.89 LMNA (0.57) KMT2ANAMPTEPHX2LMNANPC1
Hydrochloric Acid SCHEMBL8392052 0.89 KDM1A (0.52) MCHR1LMNANPC1RAB9APARP1
SCHEMBL8394079 0.84 NPC1 (0.54) KMT2ANAMPTEPHX2LMNANPC1
SCHEMBL8392756 0.83 KMT2A (0.53) KMT2ANAMPTEPHX2LMNANPC1
Hydrochloric Acid SCHEMBL8395526 0.83 NPC1 (0.53) KMT2ANAMPTEPHX2LMNANPC1
Hydrochloric Acid SCHEMBL8394145 0.82 KMT2A (0.53) KMT2ANAMPTEPHX2LMNANPC1
SCHEMBL8395852 0.79 MAPK1 (0.55) KMT2ALMNANPC1RAB9A
SCHEMBL8525511 0.78 NAMPT (0.57) MCHR1NAMPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed