SCHEMBL9714953

SCHEMBL9714953

O=C(c1ccc(Cl)cc1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.83
▸ KMT2A Q03164 5/20 0.83
▸ LMNA P02545 3/20 0.83
▸ MAPT P10636 3/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ MAPK1 P28482 1/20 0.83
▸ CCR3 P51677 1/20 0.55
▸ DRD2 P14416 3/20 0.50
▸ DRD4 P21917 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SLC6A3 Q01959 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ CNR2 P34972 1/20 0.45

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
SCHEMBL11741505 0.93 ALDH1A1 (0.87) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL8967060 0.91 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL8967064 0.91 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL8967059 0.91 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8966871 0.89 KMT2A (0.79) ALDH1A1KMT2ALMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8966875 0.89 KMT2A (0.79) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL7001081 0.85 KMT2A (0.72) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL10287516 0.81 CCR3 (0.63) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL7002758 0.79 KMT2A (0.64) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL9710832 0.79 KMT2A (0.78) ALDH1A1KMT2ALMNAMAPTMEN1

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-1992018479-A1 SUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 — — WO disclosed
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