SCHEMBL29954749

SCHEMBL29954749

O=Cc1cc(C(F)(F)F)ccc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.51
NCF1 P14598 1/20 0.51
HTR2C P28335 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HTR3A P46098 2/20 0.50
HTR1D P28221 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
ADRB1 P08588 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 1/20 0.45
HTR6 P50406 2/20 0.43
HTR2B P41595 3/20 0.42
HTR2A P28223 2/20 0.42

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
SCHEMBL20503423 0.88 ADRB2 (0.54) ADRB2NCF1HTR2CALDH1A1HTR3A
Hydrochloric Acid SCHEMBL20503425 0.87 ADRB2 (0.53) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL15264404 0.86 SMN1; SMN2 (0.50) ALDH1A1MAPTTHRBLMNASMN1; SMN2
SCHEMBL3043717 0.85 LMNA (0.49) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3048743 0.82 LMNA (0.66) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3041875 0.81 LMNA (0.49) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5913628 0.79 KDR (0.49) HTR2CALDH1A1HTR3AHTR1DLMNA
SCHEMBL1470389 0.78 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL233488 0.78 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL13179908 0.78 HTR3A (0.58) ADRB2NCF1HTR2CALDH1A1HTR3A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed