SCHEMBL10779342

SCHEMBL10779342

Cc1[nH]c2cc(Cl)c(O)cc2c1C(=O)NC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.50
SIGMAR1 Q99720 2/20 0.49
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
RHEB Q15382 1/20 0.44
CXCR3 P49682 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A12 P48065 1/20 0.44

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
SCHEMBL10779581 0.91 DRD4 (0.54) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10780851 0.89 DRD4 (0.50) DRD4SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10784337 0.89 DRD4 (0.52) DRD4SIGMAR1ADRA2AADRA2BADRA2C
Water SCHEMBL10785495 0.89 DRD4 (0.49) DRD4SIGMAR1ADRA2AADRA2BADRA2C
Isopropyl Alcohol SCHEMBL11011590 0.87 DRD4 (0.50) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10779806 0.86 DRD4 (0.52) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10780432 0.86 DRD4 (0.55) DRD4SIGMAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10779897 0.85 DRD4 (0.52) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10790438 0.85 DRD4 (0.60) DRD4SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10780527 0.84 DRD4 (0.52) DRD4SIGMAR1ADRA2AADRA2BADRA2C

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-0150505-B1 3-INDOLECARBOXAMIDE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-01 EP disclosed
US-4581355-A HYPOTENSIVE AGENTS, LIPOXYGENASE INHIBITORS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-04-08 US disclosed
EP-0150505-A2 3-Indolecarboxamide compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-08-07 EP disclosed