Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL10465265

Clc1ccc2c(c1)CC2.N

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
PNMT P11086 1/20 0.56
HTT P42858 1/20 0.47
SRD5A1 P18405 3/20 0.44
SRD5A2 P31213 1/20 0.44
METAP1 P53582 1/20 0.42
F7 P08709 1/20 0.41
PARP1 P09874 1/20 0.41
F3 P13726 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HSD17B3 P37058 2/20 0.41
KDM1A O60341 2/20 0.40
GRIN2B Q13224 1/20 0.40
TP53 P04637 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL15962624 0.97
SCHEMBL29724224 0.86 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTHTT
SCHEMBL5221227 0.86 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTHTT
SCHEMBL16559360 0.86 HTR2A (0.58) HTR2AHTR2CHTR2BPNMTHTT
SCHEMBL30218134 0.86 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTHTT
SCHEMBL5496769 0.86 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTHTT
Hydrochloric Acid SCHEMBL27261560 0.84 HTR2A (0.61) HTR2AHTR2CHTR2BPNMTHTT
SCHEMBL14102387 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BPNMTHSD17B3
SCHEMBL29676733 0.80 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTF7
SCHEMBL2881688 0.80 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTF7

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-4937164-A AS PHOTOGENERATOR WITH CHARGE TRANSPORT LAYER XEROX CORPORATION (US) 1990-06-26 US disclosed