SCHEMBL8588989

SCHEMBL8588989

NCC(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 2/20 0.38
MME P08473 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
OPRD1 P41143 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL8589579 0.86 KMT2A (0.50) LMNAKMT2AOPRK1
SCHEMBL8588155 0.83 LMNA (0.57) CYP19A1TAAR1LMNAOPRK1MME
SCHEMBL8589191 0.83 ALDH1A1 (0.43) CYP19A1TAAR1LMNAMMEMAPK1
SCHEMBL8588129 0.83 EPHX2 (0.44) MME
SCHEMBL8588435 0.82 SIGMAR1 (0.51) TAAR1LMNAOPRK1MAPK1OPRD1
SCHEMBL8588135 0.81 CYP3A4 (0.51) MAPK1
SCHEMBL8589150 0.81 TAAR1 (0.40) TAAR1OPRK1MMEOPRD1BACE1
SCHEMBL8590681 0.80 ATM (0.51) CYP19A1KMT2A
SCHEMBL8589108 0.77 CHRNA7 (0.42) LMNAKMT2A
SCHEMBL8587928 0.77 DPP7 (0.47) TAAR1LMNAMMEMAPK1

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
WO-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed