SCHEMBL8967060

SCHEMBL8967060

O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 5/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 3/20 1.00
MEN1 O00255 1/20 1.00
MAPK1 P28482 1/20 1.00
TSHR P16473 1/20 0.57
OPRL1 P41146 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
POLB P06746 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL8967059 1.00 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL8967064 1.00 ALDH1A1 (1.00) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL11741505 0.93 ALDH1A1 (0.87) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL9714953 0.91 ALDH1A1 (0.83) ALDH1A1KMT2ALMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8966871 0.89 KMT2A (0.79) ALDH1A1KMT2ALMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8966875 0.89 KMT2A (0.79) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL9710832 0.88 KMT2A (0.78) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL11743879 0.88 KMT2A (0.78) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL11746033 0.86 KMT2A (0.78) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL9710676 0.85 KMT2A (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0294294-B1 Amine derivatives of anthracycline antibiotics CYTOGEN CORP (US) 1995-05-17 EP disclosed
US-5162512-A Treatment of cellular disorders CYTOGEN CORPORATION (US) 1992-11-10 US disclosed
WO-1992018480-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed
WO-1992018479-A1 SUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed
US-4950738-A ANTICARCINOGENS CYTOGEN CORPORATION (US) 1990-08-21 US disclosed
WO-1988009823-A1 AMINE DERIVATIVES OF ANTHRACYCLINE ANTIBIOTICS AND ANTIBODY CONJUGATES THEREOF CYTOGEN CORPORATION (US) 1988-12-15 WO disclosed
EP-0294294-A2 Amine derivatives of anthracycline antibiotics CYTOGEN CORPORATION (US) 1988-12-07 EP disclosed