SCHEMBL8720303

SCHEMBL8720303

Cc1ccc(CC(C)NN)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
SLC18A2 Q05940 1/20 0.42
CYP2A6 P11509 1/20 0.41
SLC6A4 P31645 5/20 0.41
APEX1 P27695 1/20 0.41
PMP22 Q01453 1/20 0.41
AGXT P21549 1/20 0.40
IDO1 P14902 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
SCHEMBL18459257 0.81 ACACB (0.49) ACACBCYP1A2CYP2D6TAAR1SIGMAR1
SCHEMBL18459318 0.81 ACACB (0.49) ACACBCYP1A2CYP2D6TAAR1SIGMAR1
SCHEMBL10076448 0.80 TAAR1 (0.65) ACACBCYP2D6TAAR1SIGMAR1SLC18A2
SCHEMBL178625 0.80 TAAR1 (0.65) ACACBCYP2D6TAAR1SIGMAR1SLC18A2
SCHEMBL11409619 0.80 AGXT (0.46) ACACBCYP1A2TAAR1CYP2A6SLC6A4
Pheniprazine SCHEMBL28842219 0.80 SIGMAR1 (0.65) CYP1A2CYP2D6TAAR1SIGMAR1SLC18A2
Pheniprazine SCHEMBL13063297 0.80 SIGMAR1 (0.65) CYP1A2CYP2D6TAAR1SIGMAR1SLC18A2
Pheniprazine SCHEMBL163709 0.80 SIGMAR1 (0.65) CYP1A2CYP2D6TAAR1SIGMAR1SLC18A2
Hydrochloric Acid SCHEMBL7343144 0.79 SLC6A2 (0.59) ACACBCYP1A2CYP2D6TAAR1SIGMAR1
Hydrochloric Acid SCHEMBL23524368 0.78 TAAR1 (0.63) ACACBCYP2D6TAAR1SIGMAR1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868420-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1998-10-07 EP disclosed
WO-1997021682-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1997-06-19 WO disclosed