SCHEMBL9796002

SCHEMBL9796002

BrCCCOc1ccc2c(c1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL4331486 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBNPC1NFKB1
Ethane SCHEMBL4326322 0.92 POLB (0.55) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL29825051 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL15625501 0.84 KDM4E (0.60) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL9720056 0.83 PPARG (0.64) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL22692759 0.81 KDM4E (0.57) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL27829035 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL23222346 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL7214609 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBNPC1NFKB1
SCHEMBL3150833 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036070-A Treatment of nervous system disorders, schizophrenia, anxiety, paranoia AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-30 US disclosed
US-4339580-A TRANQUILIZERS, SEDATIVES MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1982-07-13 US disclosed
EP-0021368-B1 PIPERAZINYLALKOXYINDANES AND ACID ADDITION SALTS THEREOF MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP disclosed
EP-0021368-A1 Piperazinylalkoxyindanes and acid addition salts thereof MITSUBISHI KASEI CORPORATION (JP) 1981-01-07 EP disclosed