SCHEMBL7847723

SCHEMBL7847723

O=C(CCc1c[nH]c2ccccc12)NCc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
GFER P55789 1/20 0.62
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
MTNR1A P48039 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL7838803 0.90 LMNA (0.76) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7855965 0.87 CYP3A4 (0.65) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7846817 0.85 MAPT (0.78) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7853851 0.85 MAPT (0.66) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL8696236 0.85 LMNA (0.66) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7850581 0.85 KMT2A (0.65) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7853896 0.84 TRPV1 (0.65) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL857812 0.84 MTNR1A (0.57) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7849208 0.83 POLB (0.61) POLBLMNASMN1; SMN2MAPTKMT2A
SCHEMBL7848175 0.82 POLB (0.67) POLBLMNASMN1; SMN2MAPTKMT2A

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
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed