SCHEMBL10652502

SCHEMBL10652502

CC1CC(CN)c2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTR2C P28335 11/20 0.40
HTR2B P41595 11/20 0.40
HTR2A P28223 11/20 0.40
ABCB1 P08183 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
RET P07949 1/20 0.34

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
SCHEMBL10649219 0.82 HTR2C (0.37) POLBHTR2CHTR2BHTR2AABCB1
SCHEMBL5474814 0.80 POLB (0.41) POLBABCB1MEN1KMT2ABRD4
SCHEMBL29920842 0.80 POLB (0.47) POLBABCB1BRD4CREBBP
SCHEMBL29920576 0.80 POLB (0.47) POLBABCB1BRD4CREBBP
SCHEMBL9818767 0.78 AKR1B1 (0.45) POLBABCB1MEN1KMT2A
SCHEMBL10650423 0.78 HTR2C (0.40) POLBHTR2CHTR2BHTR2ASLC6A2
SCHEMBL9818765 0.78 AKR1B1 (0.45) POLBABCB1MEN1KMT2A
SCHEMBL15825584 0.77 SLC6A2 (0.42) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL1328841 0.77 POLB (0.43) POLBHTR2CHTR2BHTR2AABCB1
SCHEMBL18383190 0.77 POLB (0.43) POLBHTR2CHTR2BHTR2AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed