SCHEMBL9040970

SCHEMBL9040970

CN1Cc2ccccc2C12CCCCc1ccccc12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
KDM1A O60341 2/20 0.45
AKR1B1 P15121 1/20 0.41

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
SCHEMBL9037928 0.95 KDM1A (0.46) SIGMAR1KDM1AAKR1B1
SCHEMBL9038214 0.89 DRD1 (0.47)
SCHEMBL9038313 0.88 MAPK1 (0.42) SIGMAR1KDM1A
SCHEMBL9040302 0.87 DRD1 (0.49) SIGMAR1AKR1B1
SCHEMBL9040756 0.84 DRD1 (0.48)
SCHEMBL9041165 0.82 DRD1 (0.50) SIGMAR1AKR1B1
SCHEMBL9040061 0.80 SIGMAR1 (0.50) SIGMAR1
SCHEMBL9037683 0.75 SIGMAR1 (0.49) SIGMAR1
SCHEMBL7213608 0.71 KDM1A (0.53) SIGMAR1KDM1A
SCHEMBL12084851 0.70 SIGMAR1 (0.57) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441598-B1 Spiroisoindole compounds ZENECA INC (US) 1996-09-04 EP disclosed
US-5098925-A Neurological disorders in mammals ICI AMERICAS INC. (US) 1992-03-24 US disclosed
EP-0441598-A2 Spiroisoindole compounds ZENECA INC. (US) 1991-08-14 EP disclosed