SCHEMBL11258115

SCHEMBL11258115

CN1CCC(C(=O)O)(c2ccccc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.44
OPRM1 P35372 3/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
SLC6A9 P48067 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
HTR3A P46098 2/20 0.40
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL11248404 0.88 SMN1; SMN2 (0.43) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
SCHEMBL11477152 0.86 KMT2A (0.42) RHEBKDM4EALDH1A1LMNASLC6A9
SCHEMBL11258118 0.82 SLC6A9 (0.43) RHEBOPRM1KDM4ESMN1; SMN2NPY1R
SCHEMBL11483187 0.82 SMN1; SMN2 (0.46) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
Oxalic Acid SCHEMBL11487121 0.80 KDM4E (0.50) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
SCHEMBL11482078 0.80 SMN1; SMN2 (0.44) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
SCHEMBL11477977 0.79 SMN1; SMN2 (0.46) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
SCHEMBL11257926 0.79 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPY1RNPY2RALDH1A1
Bromide SCHEMBL11487097 0.78 SMN1; SMN2 (0.45) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R
Oxalic Acid SCHEMBL11476695 0.78 KDM4E (0.46) OPRM1KDM4ESMN1; SMN2NPY1RNPY2R

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-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed
EP-0013424-B1 SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed
EP-0013424-A1 Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 EP disclosed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed