SCHEMBL9769074

SCHEMBL9769074

CN[C@@H](Cc1ccccc1)CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
SIGMAR1 Q99720 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46
SLC6A3 Q01959 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19258005 0.86 SIGMAR1 (0.46) LTA4HSIGMAR1TAAR1SLC18A2CYP2D6
SCHEMBL19258136 0.86 SIGMAR1 (0.46) LTA4HSIGMAR1TAAR1SLC18A2CYP2D6
SCHEMBL23116559 0.80 CTRB1 (0.49) CYP3A4CYP2D6TSHRCYP2C19OPRK1
SCHEMBL13136121 0.80 CTRB1 (0.49) CYP3A4CYP2D6TSHRCYP2C19OPRK1
SCHEMBL6009261 0.80 SIGMAR1 (0.51) SIGMAR1TSHR
SCHEMBL11991363 0.80 EPHX1 (0.65) LTA4HSIGMAR1TAAR1SLC6A3CYP3A4
SCHEMBL15624910 0.78 EPHX1 (0.63) SIGMAR1TAAR1SLC6A3CYP3A4CYP2D6
SCHEMBL11991372 0.78 EPHX1 (0.63) SIGMAR1TAAR1SLC6A3CYP3A4CYP2D6
SCHEMBL13115951 0.78 CYP3A4 (0.51) LTA4HCYP3A4OPRK1
SCHEMBL13405239 0.78 TAAR1 (0.41) SIGMAR1TAAR1SLC18A2CYP2D6

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
US-5030649-A Analgesics DR. LO. ZAMBELLETTI S.P.A. (IT) 1991-07-09 US disclosed
EP-0261842-B1 N1-ACYLATED-(1-(PHENYL OR BENZYL))-1,2-ETHYLENE DIAMINES Dr. Lo. Zambeletti S.p.A. (IT) 1990-11-22 EP disclosed
EP-0261842-A1 N1-acylated-(1-(phenyl or benzyl))-1,2-ethylene diamines Dr. Lo. Zambeletti S.p.A. (IT) 1988-03-30 EP disclosed