SCHEMBL11675971

SCHEMBL11675971

CC(CCc1ccc2c(c1)Cc1cc(CCC(C)CCN3CCCCC3)ccc1-2)CCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.41
▸ SIGMAR1 Q99720 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL11677856 0.80 HTT (0.39) HRH3SIGMAR1CYP1A2TP53CYP2D6
SCHEMBL11782472 0.79 HRH1 (0.58) HRH3SIGMAR1GRIN2BKDM4EL3MBTL1
SCHEMBL11550534 0.77 HRH3 (0.41) HRH3SIGMAR1CYP1A2TP53CYP2D6
SCHEMBL11680152 0.77 SIGMAR1 (0.58) HRH3SIGMAR1GRIN2BKDM4EL3MBTL1
SCHEMBL11679521 0.77 TMEM97 (0.36) SIGMAR1CYP1A2TP53CYP2D6TSHR
Hydrochloric Acid SCHEMBL11678798 0.76 SIGMAR1 (0.56) HRH3SIGMAR1GRIN2BKDM4EL3MBTL1
SCHEMBL11675968 0.74 L3MBTL1 (0.58) TP53TSHRHTTKDM4EL3MBTL1
SCHEMBL11679983 0.74 TMEM97 (0.38) SIGMAR1TP53TSHRHTTKDM4E
SCHEMBL11780778 0.73 HRH3 (0.61) HRH3TP53CYP2D6TSHRHTT
SCHEMBL11779218 0.67 KDM4E (0.49) HRH3SIGMAR1CYP1A2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
Send feedback