SCHEMBL8627652

SCHEMBL8627652

CC(=O)NC1CCN(CCOC2(C)CCCc3cc(Cl)ccc3N2C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.43
AVPR1A P37288 5/20 0.43
HSD11B1 P28845 3/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
AVPR1B P47901 1/20 0.38
ACKR3 P25106 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL8632578 0.89 AVPR2 (0.44) AVPR2AVPR1AHSD11B1LMNATP53
SCHEMBL8627133 0.82 AVPR2 (0.40) AVPR2AVPR1AHSD11B1LMNATP53
Hydrochloric Acid SCHEMBL8634039 0.79 LMNA (0.45) AVPR2AVPR1AHSD11B1LMNATP53
Hydrochloric Acid SCHEMBL8661682 0.79 LMNA (0.44) AVPR2AVPR1AHSD11B1LMNATP53
SCHEMBL8627648 0.77 AVPR2 (0.47) AVPR2AVPR1ALMNATP53ACKR3
Hydrochloric Acid SCHEMBL8632564 0.75 AVPR2 (0.46) AVPR2AVPR1AAVPR1BCHRM1
SCHEMBL8633400 0.75 AVPR2 (0.40) AVPR2AVPR1AHSD11B1LMNATP53
SCHEMBL8632575 0.75 AVPR2 (0.46) AVPR2AVPR1AHSD11B1LMNATP53
Hydrochloric Acid SCHEMBL8628773 0.74 AVPR2 (0.42) AVPR2AVPR1ACHRM1
SCHEMBL8627408 0.74 AVPR1A (0.40) AVPR2AVPR1AHSD11B1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed