SCHEMBL21342320

SCHEMBL21342320

COc1ccc(C2CCCN(c3ccnc(C)c3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.52
▸ PROKR1 Q8TCW9 8/20 0.50
▸ MYC P01106 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL21342442 0.88 PROKR1 (0.54) PRKDCPROKR1MYCALDH1A1LMNA
SCHEMBL21341953 0.87 PRKDC (0.52) PRKDCPROKR1MYCALDH1A1LMNA
SCHEMBL21341987 0.84 PRKDC (0.52) PRKDCPROKR1ALDH1A1LMNAHPGD
SCHEMBL21342321 0.82 PRKDC (0.56) PRKDCPROKR1MYCALDH1A1LMNA
SCHEMBL21341961 0.81 FPR1 (0.48) PRKDCPROKR1MYCALDH1A1LMNA
SCHEMBL21342319 0.78 CHRM4 (0.51) PRKDCPROKR1ALDH1A1LMNAHPGD
SCHEMBL21341991 0.78 PRKDC (0.51) PRKDCPROKR1MYCALDH1A1LMNA
SCHEMBL21342048 0.76 ALDH1A1 (0.52) PRKDCPROKR1ALDH1A1LMNAHPGD
SCHEMBL17602186 0.76 ALDH1A1 (0.61) PRKDCALDH1A1LMNAHPGDHIF1A
SCHEMBL21341955 0.76 AVPR1A (0.54) PRKDCPROKR1ALDH1A1LMNAHPGD

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-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 — — WO disclosed
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