SCHEMBL3888979

SCHEMBL3888979

Cc1cc(-c2cc(N3CCN(c4ncccc4Cl)CC3)nc(N3CCCCC3)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.46
GALR1 P47211 4/20 0.46
TRPV1 Q8NER1 3/20 0.42
GRM5 P41594 4/20 0.40
GBA1 P04062 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.40
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3878564 0.99 GALR2 (0.44) GALR2GALR1TRPV1GRM5GBA1
SCHEMBL3876785 0.91 GALR2 (0.43) GALR2GALR1TRPV1GBA1KDM4E
SCHEMBL3884876 0.90 MALT1 (0.44) GALR2GALR1TRPV1GBA1KMT2A
SCHEMBL14613984 0.89 GALR2 (0.46) GALR2GALR1GRM5GBA1KMT2A
SCHEMBL3879767 0.89 TRPV1 (0.49) GALR2GALR1TRPV1GRM5HSD11B1
SCHEMBL3881042 0.88 TRPV1 (0.50) GALR2GALR1TRPV1GRM5HSD11B1
SCHEMBL3877121 0.88 TRPV1 (0.42) TRPV1GRM5
SCHEMBL3887140 0.88 TRPV1 (0.50) GALR2GALR1TRPV1GRM5HSD11B1
SCHEMBL3888381 0.87 GALR2 (0.61) GALR2GALR1TRPV1GBA1
SCHEMBL3879062 0.87 TRPV1 (0.43) TRPV1GRM5

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed