SCHEMBL8007467

SCHEMBL8007467

O=C(NCC(c1ccccc1)C1CCCCC1)Nc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CASR P41180 1/20 0.58
TAS1R3 Q7RTX0 3/20 0.58
TAS1R1 Q7RTX1 3/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CYP2C19 P33261 1/20 0.50
PYGL P06737 1/20 0.49
P2RX7 Q99572 2/20 0.48
IL1B P01584 1/20 0.48
KCNQ2 O43526 1/20 0.47
CCR3 P51677 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL8004908 0.85 TAS1R3 (0.63) MEN1KMT2ACASRTAS1R3TAS1R1
SCHEMBL8005414 0.83 TAS1R3 (0.53) MEN1KMT2ACASRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8005463 0.82 TAS1R3 (0.52) MEN1KMT2ACASRTAS1R3TAS1R1
SCHEMBL444179 0.79 CASR (0.74) MEN1KMT2ACASRTAS1R3TAS1R1
SCHEMBL3904395 0.77 MEN1 (0.66) MEN1KMT2ANPC1RAB9AP2RX7
SCHEMBL7936481 0.76 CCR3 (0.77) CCR3
SCHEMBL3902121 0.75 MEN1 (0.64) MEN1KMT2ANPC1RAB9AP2RX7
SCHEMBL2433439 0.74 CASR (1.00) CASRKCNQ2SMN1; SMN2ALDH1A1HTT
SCHEMBL8067991 0.74 RAB9A (0.72) MEN1KMT2ACASRTAS1R3TAS1R1
SCHEMBL8067993 0.74 RAB9A (0.72) MEN1KMT2ACASRTAS1R3TAS1R1

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
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP disclosed