SCHEMBL7569274

SCHEMBL7569274

O=C(CC1CCCCC1)Nc1ncccc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL8797975 0.88 EPHX2 (0.56) EPHX2KCNQ3KCNQ2HPGDRECQL
SCHEMBL8801191 0.76 CNR2 (0.38) HPGDKMT2AMEN1POLBNPC1
SCHEMBL27508818 0.74 HPGD (0.63) EPHX2KCNQ3KCNQ2HPGDRECQL
SCHEMBL4516287 0.72 HCRTR1 (0.42) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26686541 0.71 EPHX2 (0.60) EPHX2KCNQ3KCNQ2HPGDRECQL
SCHEMBL1803010 0.71 P2RX7 (0.78) EPHX2RECQLKMT2AMEN1NPC1
SCHEMBL5233494 0.70 SMN1; SMN2 (0.53) EPHX2HPGDRECQLKMT2AMEN1
SCHEMBL30685737 0.70 TDP1 (0.63) HPGDKMT2AMEN1POLBP2RX7
SCHEMBL27340684 0.70 ALDH1A1 (0.46) KCNQ3KCNQ2HPGDRAB9AALDH1A1
SCHEMBL8798277 0.69 NPC1 (0.41) KMT2AMEN1NPC1RAB9AP2RX7

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-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed