SCHEMBL8209902

SCHEMBL8209902

CC1[CH]CCNC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
SLC22A1 O15245 1/20 0.41
PRCP P42785 1/20 0.41
POLB P06746 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL23459137 0.75 POLB (0.47) POLBGBA1
SCHEMBL23477733 0.75 POLB (0.47) POLBGBA1
SCHEMBL13953752 0.75 POLB (0.47) POLBGBA1
SCHEMBL23477650 0.75 POLB (0.47) POLBGBA1
SCHEMBL29998378 0.75 POLB (0.47) POLBGBA1
SCHEMBL6572638 0.74 POLB (0.46) HDAC8SLC22A1PRCPPOLBGBA1
SCHEMBL23255522 0.71 NOS1 (0.42) POLBGBA1
SCHEMBL18883042 0.71 NOS1 (0.42) POLBGBA1
SCHEMBL18883041 0.71 NOS1 (0.42) POLBGBA1
SCHEMBL18883040 0.71 NOS1 (0.42) POLBGBA1

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-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed