SCHEMBL7342181

SCHEMBL7342181

CN(C)c1ncccc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MYC P01106 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 2/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL4290255 0.83 NAPRT (0.58) NAPRTSMN1; SMN2LMNAKDM4ETDP1
SCHEMBL24963302 0.83 NAPRT (0.44) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
SCHEMBL29448035 0.83 NAPRT (0.58) NAPRTSMN1; SMN2LMNAKDM4ETDP1
SCHEMBL16977992 0.82 KMT2A (0.43) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
SCHEMBL3463758 0.81 NAPRT (0.56) NAPRTSMN1; SMN2LMNAKDM4ETDP1
SCHEMBL2770958 0.81 PARP1 (0.51) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
Lithium Ion SCHEMBL3463755 0.80 NAPRT (0.42) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
SCHEMBL26054706 0.79 NAPRT (0.41) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
SCHEMBL28344341 0.77 NAPRT (0.40) NAPRTSMN1; SMN2LMNAP2RX7KDM4E
SCHEMBL29448053 0.75 POLB (0.42) NAPRTSMN1; SMN2LMNAKDM4ETDP1

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-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed