SCHEMBL8967036

SCHEMBL8967036

OC(CCCN1CC[C@](O)(c2ccccc2)[C@@H](C(O)c2ccccc2)C1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
TSHR P16473 1/20 0.63
SIGMAR1 Q99720 6/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 4/20 0.53
LMNA P02545 1/20 0.53
SLC6A3 Q01959 3/20 0.47
HTR2A P28223 1/20 0.46
SLC6A4 P31645 2/20 0.45
HTR1A P08908 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
SCHEMBL9173912 0.94 ALDH1A1 (0.71) ALDH1A1TSHRSIGMAR1DRD2DRD3
SCHEMBL8967698 0.90 ALDH1A1 (0.63) ALDH1A1TSHRSIGMAR1DRD2DRD3
SCHEMBL9710602 0.88 ALDH1A1 (0.72) ALDH1A1TSHRLMNASLC6A3HTR1A
SCHEMBL9711021 0.88 ALDH1A1 (0.64) ALDH1A1TSHRSIGMAR1DRD2DRD3
SCHEMBL8966878 0.85 DRD2 (0.62) ALDH1A1TSHRDRD2DRD3SLC6A3
SCHEMBL8967606 0.83 DRD2 (0.57) ALDH1A1TSHRSIGMAR1DRD2DRD3
SCHEMBL11861506 0.83 ALDH1A1 (0.68) ALDH1A1TSHRSIGMAR1LMNASLC6A3
SCHEMBL11867863 0.83 ALDH1A1 (0.68) ALDH1A1TSHRSIGMAR1LMNASLC6A3
SCHEMBL9296560 0.82 ALDH1A1 (0.74) ALDH1A1TSHRSLC6A3
Hydrochloric Acid SCHEMBL11861149 0.82 ALDH1A1 (0.67) ALDH1A1TSHRSIGMAR1LMNASLC6A3

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 5 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 claimed
US-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0580644-B1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AG (DE) 1995-06-28 EP disclosed
EP-0580644-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE. BASF AG (DE) 1994-02-02 EP disclosed
WO-1992018480-A1 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed