SCHEMBL7376281

SCHEMBL7376281

CCOC(=O)CCCCCOc1cccnc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 4/20 0.40
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL7748693 0.91 MEN1 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1RECQL
SCHEMBL7376574 0.91 AVPR2 (0.42) AVPR2MAPTMAPK1KMT2AMLNR
SCHEMBL7374760 0.90 AVPR2 (0.43) AVPR2MAPTMAPK1KMT2AMLNR
SCHEMBL7376764 0.89 PPARG (0.42) AVPR2MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL7374905 0.88 AVPR2 (0.41) AVPR2MAPTMAPK1KMT2AMLNR
SCHEMBL7372350 0.87 AVPR2 (0.43) AVPR2MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL7373910 0.86 AVPR2 (0.41) AVPR2MAPTMAPK1KMT2AMLNR
SCHEMBL7368737 0.86 RAB9A (0.43) AVPR2MAPTMAPK1KMT2AMLNR
SCHEMBL7378349 0.85 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL7373461 0.84 RECQL (0.42) AVPR2MAPTMAPK1KMT2AMLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed