SCHEMBL7347340

SCHEMBL7347340

CN1CCN(C(=O)NCCCOc2ccccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCN)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NAMPT P43490 8/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MELK Q14680 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
Hydrochloric Acid SCHEMBL7338746 0.99 POLB (0.42) POLBNAMPTRAB9AKDM4EALDH1A1
SCHEMBL7346648 0.91 GAA (0.47) POLBKMT2AMEN1
SCHEMBL7335641 0.90 NAMPT (0.41) POLBNAMPTRAB9AKDM4EALDH1A1
SCHEMBL7368219 0.90 L3MBTL1 (0.45) POLBNAMPTRAB9AALDH1A1KMT2A
SCHEMBL7748299 0.90 NAMPT (0.44) POLBNAMPT
SCHEMBL7347838 0.89 POLB (0.44) POLBNAMPTRAB9AALDH1A1HPGD
SCHEMBL7338325 0.89 POLB (0.40) POLBNAMPTRAB9AKDM4EALDH1A1
SCHEMBL7373469 0.88 L3MBTL1 (0.40) POLBNAMPTALDH1A1
Hydrochloric Acid SCHEMBL7346264 0.88 POLB (0.43) POLBNAMPTRAB9AALDH1A1HPGD
SCHEMBL7338872 0.87 POLB (0.43) POLBNAMPTRAB9AALDH1A1HPGD

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed