SCHEMBL8037087

SCHEMBL8037087

CCNC(=O)N1CCN(CCCN(c2ccncc2)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
FAAH O00519 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SIGMAR1 Q99720 5/20 0.51

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 SCHEMBL8037103 0.92 MEN1 (0.65) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL7572762 0.77 SIGMAR1 (0.84) CYP3A4CYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL8032576 0.76 SIGMAR1 (0.56) SIGMAR1
Hydrochloric Acid SCHEMBL8021268 0.75 FAAH (0.61) FAAHSMN1; SMN2SIGMAR1
SCHEMBL9809319 0.74 HRH1 (0.69) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10935509 0.74 MEN1 (0.68) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL10507988 0.74 TSHR (0.67) MAPK1FAAHCYP3A4CYP2D6TSHR
Amperozide SCHEMBL17360644 0.74 CYP3A4 (0.95) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL8037098 0.74 POLB (0.52) TSHRMEN1BLMPMP22KMT2A
SCHEMBL9809303 0.73 MAPK1 (0.65) MAPK1FAAHCYP3A4CYP2D6TSHR

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-0620814-B1 NOVEL PIPRAZINE CARBOXAMIDES PHARMACIA & UPJOHN AB (SE) 2000-03-22 EP disclosed
US-5574031-A Piperazine carboxamides PHARMACIA AKTIEBOLAG (SE) 1996-11-12 US disclosed