SCHEMBL9865640

SCHEMBL9865640

CCC(CCC[NH])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CCR5 P51681 1/20 0.40
NR1I2 O75469 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH1 P35367 6/20 0.37
HTR2A P28223 5/20 0.37
TAAR1 Q96RJ0 2/20 0.36
CYP2D6 P10635 1/20 0.36
MIF P14174 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HKDC1 Q2TB90 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
SCHEMBL9865180 0.88 LMNA (0.45) LMNACCR5SIGMAR1HRH1HTR2A
SCHEMBL28343866 0.83 NR1I2 (0.49) LMNACCR5NR1I2SIGMAR1HRH1
SCHEMBL598619 0.83 NR1I2 (0.49) LMNACCR5NR1I2SIGMAR1HRH1
SCHEMBL169508 0.82 LMNA (0.56) LMNACCR5HRH1HTR2ATAAR1
SCHEMBL6685367 0.82 NR1I2 (0.56) LMNACCR5NR1I2SIGMAR1HTR2A
Ammonia Solution, Strong SCHEMBL1640901 0.80 LMNA (0.54) LMNACCR5HRH1HTR2ATAAR1
SCHEMBL3097530 0.80 NR1I2 (0.58) LMNANR1I2SIGMAR1HTR2AKDM4E
SCHEMBL3385362 0.80 LMNA (0.42) LMNACCR5NR1I2SIGMAR1HRH1
SCHEMBL7719078 0.80 NR1I2 (0.58) LMNANR1I2SIGMAR1HTR2AKDM4E
SCHEMBL22426629 0.80 CCR5 (0.44) LMNACCR5NR1I2SIGMAR1HRH1

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-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed