SCHEMBL8970575

SCHEMBL8970575

O=C(Cl)C1OCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
XBP1 P17861 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP3 P15309 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL8901920 0.87 RAB9A (0.58) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL16244206 0.86 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL2720399 0.86 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL31445349 0.86 RAB9A (0.57) RAB9ATSHRMAPK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11349059 0.84 RAB9A (0.56) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL9682910 0.84 RAB9A (0.56) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL21688271 0.77 RAB9A (0.52) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL30816126 0.74 ALDH1A1 (0.44) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL8636039 0.74 RAB9A (0.44) RAB9ATSHRMAPK1ALDH1A1KMT2A
SCHEMBL7397055 0.73 RAB9A (0.44) RAB9ATSHRMAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-4279910-A Quinazoline therapeutic agents PFIZER INC. (US) 1981-07-21 US disclosed