SCHEMBL9448145

SCHEMBL9448145

CN1CC2c3ccccc3CCC2CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.58
SIGMAR1 Q99720 14/20 0.56
HTR1A P08908 2/20 0.43

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
SCHEMBL9448222 1.00 SRD5A1 (0.58) SRD5A1SIGMAR1HTR1A
SCHEMBL9448141 1.00 SRD5A1 (0.58) SRD5A1SIGMAR1HTR1A
SCHEMBL9448135 1.00 SRD5A1 (0.58) SRD5A1SIGMAR1HTR1A
SCHEMBL9448218 1.00 SRD5A1 (0.58) SRD5A1SIGMAR1HTR1A
SCHEMBL11546208 0.78 SIGMAR1 (0.77) SIGMAR1HTR1A
SCHEMBL18779969 0.78 SRD5A1 (0.57) SRD5A1SIGMAR1HTR1A
SCHEMBL18779970 0.78 SRD5A1 (0.57) SRD5A1SIGMAR1HTR1A
SCHEMBL9448162 0.78 ADRA1B (0.53)
SCHEMBL9448354 0.76 SIGMAR1 (0.56) SRD5A1SIGMAR1
SCHEMBL9448360 0.76 SIGMAR1 (0.56) SRD5A1SIGMAR1

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
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed