SCHEMBL8107029

SCHEMBL8107029

CCN(CC)CCOC(=O)C1(c2ccccc2)CCC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.95
SIGMAR1 Q99720 2/20 0.95
ALDH1A1 P00352 5/20 0.92
POLB P06746 1/20 0.92
CHRM2 P08172 5/20 0.81
CHRM1 P11229 4/20 0.81
LMNA P02545 3/20 0.81
CYP1A2 P05177 3/20 0.81
CYP3A4 P08684 3/20 0.81
CYP2D6 P10635 3/20 0.81
TSHR P16473 3/20 0.81
KDM4E B2RXH2 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
SLC22A1 O15245 1/20 0.81
THRB P10828 1/20 0.81
HTT P42858 1/20 0.81
TMEM97 Q5BJF2 1/20 0.81
MEN1 O00255 1/20 0.67
ALOX15 P16050 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
Hydrochloric Acid SCHEMBL8107092 0.99 ALDH1A1 (0.95) PRCPSIGMAR1ALDH1A1POLBCHRM2
Caramiphen SCHEMBL181285 0.97 PRCP (1.00) PRCPSIGMAR1ALDH1A1POLBCHRM2
Caramiphen SCHEMBL1374820 0.96 ALDH1A1 (1.00) PRCPSIGMAR1ALDH1A1POLBCHRM2
Caramiphen SCHEMBL10898559 0.96 PRCP (0.97) PRCPSIGMAR1ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL8523290 0.95 ALDH1A1 (0.88) PRCPSIGMAR1ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL7383119 0.95 ALDH1A1 (0.97) PRCPSIGMAR1ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL7384475 0.93 ALDH1A1 (0.90) PRCPSIGMAR1ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL8107119 0.91 ALDH1A1 (0.93) PRCPSIGMAR1ALDH1A1POLBCHRM2
Caramiphen SCHEMBL8735818 0.90 ALDH1A1 (0.88) PRCPSIGMAR1ALDH1A1POLBCHRM2
Carbetapentane SCHEMBL15516338 0.90 CHRM2 (1.00) PRCPSIGMAR1ALDH1A1POLBCHRM2

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-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed