SCHEMBL11048686

SCHEMBL11048686

O=C(NCCCCCCNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.70
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SLC6A3 Q01959 3/20 0.63
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CASR P41180 1/20 0.60
EPHX1 P07099 1/20 0.60

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
SCHEMBL11052587 0.92 EPHX1 (0.74) CNR1SMN1; SMN2SLC6A3EPHX1
SCHEMBL14005462 0.91 CNR1 (0.60) CNR1NPC1RAB9ASMN1; SMN2SLC6A3
SCHEMBL15741900 0.91 FOLH1 (0.65) CNR1NPC1RAB9ASMN1; SMN2SLC6A3
SCHEMBL11051084 0.90 CNR1 (0.83) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL14424476 0.90 EPHX1 (0.71) CNR1SMN1; SMN2SLC6A3EPHX1
SCHEMBL27929217 0.89 CNR1 (0.66) CNR1NPC1RAB9ASMN1; SMN2SLC6A3
SCHEMBL5612740 0.88 CNR1 (0.64) CNR1NPC1RAB9ASMN1; SMN2SLC6A3
SCHEMBL10585478 0.88 CNR1 (0.69) CNR1NPC1RAB9ASMN1; SMN2SLC6A3
SCHEMBL8243576 0.88 HDAC1 (0.70) CNR1SLC6A3
SCHEMBL12334454 0.88 EPHX2 (0.59) CNR1NPC1RAB9ASMN1; SMN2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 US disclosed