SCHEMBL11625852

SCHEMBL11625852

OC1c2ccccc2CCC1CN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.44
METAP1 P53582 2/20 0.43
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7437059 0.85 METAP1 (0.49) BLMTSHRLMNAMETAP1
SCHEMBL7437050 0.85 METAP1 (0.49) BLMTSHRLMNAMETAP1
SCHEMBL12362872 0.85 METAP1 (0.49) BLMTSHRLMNAMETAP1
SCHEMBL8533128 0.84 DRD2 (0.49) BLMTSHRSIGMAR1
SCHEMBL11666517 0.83 DRD2 (0.50) TSHRLMNA
SCHEMBL12362871 0.83 METAP1 (0.47) BLMTSHRLMNAMETAP1
SCHEMBL11525500 0.80 CACNA1G (0.49)
SCHEMBL6795934 0.78 METAP1 (0.51) LMNAMETAP1SIGMAR1
SCHEMBL10629040 0.78 SIGMAR1 (0.36) SIGMAR1
SCHEMBL10630831 0.78 SIGMAR1 (0.36) 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
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 US disclosed