SCHEMBL4667341

SCHEMBL4667341

CC(=O)c1ccc(N2CC[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1.Cc1noc(-c2ccc(N3CC[C@H](C(=O)N4CCCN(C5CCC5)CC4)C3)c(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPY2R P49146 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ACKR3 P25106 1/20 0.36
ACACB O00763 6/20 0.36
ACACA Q13085 6/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 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
SCHEMBL4668391 0.93 NPY2R (0.43) MAPTALDH1A1NPY2RTP53LMNA
SCHEMBL4666685 0.93 NPY2R (0.43) MAPTALDH1A1NPY2RTP53LMNA
SCHEMBL4666686 0.93 NPY2R (0.43) MAPTALDH1A1NPY2RTP53LMNA
Hydrochloric Acid SCHEMBL4669546 0.92 NPY2R (0.42) MAPTALDH1A1NPY2RTP53LMNA
Hydrochloric Acid SCHEMBL4667246 0.92 NPY2R (0.42) MAPTALDH1A1NPY2RTP53LMNA
SCHEMBL4666695 0.86 HRH3 (0.41) MAPTALDH1A1TP53HRH3ACACB
SCHEMBL4666773 0.86 HRH3 (0.41) MAPTALDH1A1TP53HRH3ACACB
SCHEMBL4668242 0.86 HRH3 (0.41) MAPTALDH1A1TP53HRH3ACACB
Hydrochloric Acid SCHEMBL4668308 0.86 HRH3 (0.40) MAPTALDH1A1TP53HRH3ACACB
Hydrochloric Acid SCHEMBL4666655 0.86 HRH3 (0.40) MAPTALDH1A1TP53HRH3ACACB

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
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP claimed