SCHEMBL7484801

SCHEMBL7484801

COCCOc1cc2c(cc1C(=O)NCCN)CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
DHODH Q02127 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7485077 0.86 HRH3 (0.41) RAB9ANPC1SIGMAR1TMEM97HPGD
SCHEMBL7481478 0.83 TMEM97 (0.36) RAB9ANPC1SIGMAR1TMEM97HPGD
SCHEMBL8195562 0.83 ESR1 (0.39) RAB9ANPC1SIGMAR1TMEM97SMN1; SMN2
SCHEMBL8195897 0.82 DHODH (0.43) RAB9ANPC1DHODHCNR1CNR2
SCHEMBL7487453 0.82 DHODH (0.43) RAB9ANPC1DHODHCNR1CNR2
SCHEMBL7538218 0.80 SIGMAR1 (0.47) SIGMAR1TMEM97MEN1KMT2ADRD2
SCHEMBL7481181 0.79 LMNA (0.48) CNR2MEN1LMNAKMT2A
SCHEMBL7485060 0.79 SMN1; SMN2 (0.40) RAB9ADHODHHPGDHTTMEN1
SCHEMBL8196776 0.76 KDM4E (0.50) RAB9ANPC1HPGDHTTMEN1
SCHEMBL8183672 0.75 HPGD (0.55) RAB9ANPC1SIGMAR1HPGDLMNA

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-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed