SCHEMBL7338872

SCHEMBL7338872

CN1CCN(C(=O)CCCCCOc2ccccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCN)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
AVPR2 P30518 4/20 0.41
AVPR1A P37288 4/20 0.41
KMT2A Q03164 4/20 0.41
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40

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 SCHEMBL7335616 0.99 POLB (0.42) POLBAVPR2AVPR1AKMT2AMLNR
Hydrochloric Acid SCHEMBL7338873 0.98 POLB (0.42) POLBAVPR2AVPR1AKMT2AMLNR
SCHEMBL7347838 0.97 POLB (0.44) POLBAVPR2AVPR1AKMT2AMLNR
Hydrochloric Acid SCHEMBL7346264 0.96 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR
SCHEMBL7338749 0.93 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR
SCHEMBL7341462 0.93 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR
SCHEMBL7338049 0.93 RECQL (0.41) POLBAVPR2AVPR1AKMT2AMLNR
SCHEMBL7336183 0.92 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR
Hydrochloric Acid SCHEMBL7337084 0.92 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR
Hydrochloric Acid SCHEMBL7773831 0.92 POLB (0.43) POLBAVPR2AVPR1AKMT2AMLNR

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
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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed