SCHEMBL8991630

SCHEMBL8991630

CC1(C)[C@H]2CC[C@H](CCCC(O)=S)[C@@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
MAPK14 Q16539 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
ALOX15 P16050 1/20 0.36
HDAC6 Q9UBN7 3/20 0.34
S1PR1 P21453 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRK1 P41145 4/20 0.34
OPRD1 P41143 3/20 0.34
OGFRL1 Q5TC84 3/20 0.34
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TBXA2R P21731 2/20 0.32
OPRL1 P41146 2/20 0.32
CXCR3 P49682 2/20 0.30

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
SCHEMBL61209 0.84 RET (0.47) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL59970 0.84 RET (0.47) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL11604288 0.77 RET (0.49) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL3656122 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL14452952 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL5529100 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL5517946 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL14452947 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL3652307 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6
SCHEMBL8077348 0.75 RET (0.46) RETMAPK14CAMK1DALOX15HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491263-B1 Phenylalkylaminoalkyl compounds; process for their preparation and pharmaceutical compositions containing same KALI CHEMIE PHARMA GMBH (DE) 1996-07-24 EP disclosed
EP-0491263-A1 Phenylalkylaminoalkyl compounds; process for their preparation and pharmaceutical compositions containing same Kali-Chemie Pharma GmbH (DE) 1992-06-24 EP disclosed